5-(Chloromethyl)-2-Methylpyrimidin-4-Amine

Synopsis, Chemistry

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5-(Chloromethyl)-2-Methylpyrimidin-4-Amine

Also known as: 189745-28-6, 4-pyrimidinamine, 5-(chloromethyl)-2-methyl- (9ci), 5-(chloromethyl)-2-methyl-4-pyrimidinamine, 4-pyrimidinamine, 5-(chloromethyl)-2-methyl-, B67sq892uj, 4-amino-5-(chloromethyl)-2-methylpyrimidine

Molecular Formula

C₆H₈ClN₃

Molecular Weight

157.60 g/mol

InChI Key

AMLLQDUJVUQRGA-UHFFFAOYSA-N

FDA UNII

B67SQ892UJ

1 2D Structure

5-(Chloromethyl)-2-Methylpyrimidin-4-Amine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(chloromethyl)-2-methylpyrimidin-4-amine

2.1.2 InChI

InChI=1S/C6H8ClN3/c1-4-9-3-5(2-7)6(8)10-4/h3H,2H2,1H3,(H2,8,9,10)

2.1.3 InChI Key

AMLLQDUJVUQRGA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC=C(C(=N1)N)CCl

2.2 Other Identifiers

2.2.1 UNII

B67SQ892UJ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 189745-28-6

2. 4-pyrimidinamine, 5-(chloromethyl)-2-methyl- (9ci)

3. 5-(chloromethyl)-2-methyl-4-pyrimidinamine

4. 4-pyrimidinamine, 5-(chloromethyl)-2-methyl-

5. B67sq892uj

6. 4-amino-5-(chloromethyl)-2-methylpyrimidine

7. Unii-b67sq892uj

8. Schembl4358570

9. Zinc1719385

10. Akos005255664

11. Ab06249

12. 5-chloromethyl-2-methylpyrimidin-4-amine

13. 2-methyl-4-amino-5-chloromethylpyrimidine

14. 5-chloromethyl-2-methyl-pyrimidin-4-ylamine

15. Cs-0045993

16. H11127

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₈ClN₃
Molecular Weight	157.60 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	157.0406750 g/mol
Monoisotopic Mass	157.0406750 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	109
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