6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C9H9ClN4S — CID 62482738

IUPAC6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2nccs2)n1
InChIInChI=1S/C9H9ClN4S/c1-6-13-7(10)4-8(14-6)12-5-9-11-2-3-15-9/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyZOUQCOKBDOESTD-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.51
Rot. Bonds3

About 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 62482738) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID62482738
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2nccs2)n1
InChIInChI=1S/C9H9ClN4S/c1-6-13-7(10)4-8(14-6)12-5-9-11-2-3-15-9/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyZOUQCOKBDOESTD-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80953226
6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 115914722
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 146105270
4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911687
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
2-(methoxymethyl)-6-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 113401430
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706
2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564512
6-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133380467
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 62482738) is 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is Cc1nc(Cl)cc(NCc2nccs2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZOUQCOKBDOESTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6-13-7(10)4-8(14-6)12-5-9-11-2-3-15-9/h2-4H,5H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 240.72 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62482738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).