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CAS 865304-71-8

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Chemistry

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Also known as: 865304-71-8, 5-[4-methoxy-2-(propan-2-yl)phenoxy]pyrimidine-2,4-diamine, Dtxsid00583065, Dtxcid70533830, 839-944-0, 5-(2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine

Molecular Formula

C₁₄H₁₈N₄O₂

Molecular Weight

274.32 g/mol

InChI Key

HIKYTWIVLKHYIM-UHFFFAOYSA-N

1 2D Structure

CAS 865304-71-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

2.1.2 InChI

InChI=1S/C14H18N4O2/c1-8(2)10-6-9(19-3)4-5-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)

2.1.3 InChI Key

HIKYTWIVLKHYIM-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 865304-71-8

2. 5-[4-methoxy-2-(propan-2-yl)phenoxy]pyrimidine-2,4-diamine

3. Dtxsid00583065

4. Dtxcid70533830

5. 839-944-0

6. 5-(2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine

7. 5-(2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine

8. Tcmdc-132471

9. Chembl504607

10. 5-(4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

11. Mfcd22056165

12. Schembl1493858

13. Hikytwivlkhyim-uhfffaoysa-n

14. Ex-a5514

15. Ac7013

16. Bdbm50413379

17. Akos037631153

18. Sy248679

19. Db-123630

20. Cs-0459260

2.3 Create Date

2007-06-19

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈N₄O₂
Molecular Weight	274.32 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	96.3
Heavy Atom Count	20
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1