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N-(2-Amino-4-chloro-6-(((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formamide

Chemistry, 2 End Use API, 12 Related Intermediates

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1 APIs

1 APIs

Also known as: 171887-04-0, N-(2-amino-4-chloro-6-(((1r,4s)-4-(hydroxymethyl)-cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formamide, (1r-cis)-n-[2-amino-4-chloro-6-[[4-(hydroxymethyl)-2-cyclopenten-1-yl]amino]-5-pyrimidinyl]-formamid, N-[2-amino-4-chloro-6-[[(1r,4s)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrimidin-5-yl]formamide, (1s,4r)-4-[(2-amino-6-chloro-5-formamide-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol, Schembl331086

Molecular Formula

C₁₁H₁₄ClN₅O₂

Molecular Weight

283.71 g/mol

InChI Key

OSFRHUVOPNVUGL-RQJHMYQMSA-N

1 2D Structure

N-(2-Amino-4-chloro-6-(((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-amino-4-chloro-6-[[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrimidin-5-yl]formamide

2.1.2 InChI

InChI=1S/C11H14ClN5O2/c12-9-8(14-5-19)10(17-11(13)16-9)15-7-2-1-6(3-7)4-18/h1-2,5-7,18H,3-4H2,(H,14,19)(H3,13,15,16,17)/t6-,7+/m1/s1

2.1.3 InChI Key

OSFRHUVOPNVUGL-RQJHMYQMSA-N

2.1.4 Canonical SMILES

C1C(C=CC1NC2=C(C(=NC(=N2)N)Cl)NC=O)CO

2.1.5 Isomeric SMILES

C1[C@@H](C=C[C@@H]1NC2=C(C(=NC(=N2)N)Cl)NC=O)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 171887-04-0

2. N-(2-amino-4-chloro-6-(((1r,4s)-4-(hydroxymethyl)-cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formamide

3. (1r-cis)-n-[2-amino-4-chloro-6-[[4-(hydroxymethyl)-2-cyclopenten-1-yl]amino]-5-pyrimidinyl]-formamid

4. N-[2-amino-4-chloro-6-[[(1r,4s)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrimidin-5-yl]formamide

5. (1s,4r)-4-[(2-amino-6-chloro-5-formamide-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol

6. Schembl331086

7. Zinc33963236

8. Akos016010720

9. Ac-27025

10. (1 S,4r)-4-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol

11. (1s 4r)-4-[(2-amino-6chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol

12. (1s, 4r)-4[(-2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol

13. (1s,4r)-4-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2- Cyclopentene-1-methanol

14. (1s,4r)-4-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol

15. (1s,4r)-4-[(2-amino-6chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol

16. (1s,4r)-4-[(2amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol

17. (1r, 4 S)-1-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl) Amino]-4-(hydroxymethyl)-2-cylopentene

18. (1r,4s)-1-[(2-amino-6-chloro-5 Formamido-4-pyrimidinyl)amino]-4-(hydroxymethyl)-2-cyclopentene

19. (1r,4s)-1-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-4-(hydroxymethyl)-2-cyclopentene

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄ClN₅O₂
Molecular Weight	283.71 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	283.0836024 g/mol
Monoisotopic Mass	283.0836024 g/mol
Topological Polar Surface Area	113 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	343
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

5451-40-1

End Use API

Abacavir

About the Company

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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