N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine

C15H13ClN4S — CID 6539282

IUPACN-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3cccc(Cl)c3)n2)s1
InChIInChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-6-7-17-15(20-13)19-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,19,20)
InChIKeyCPJICALSLDLRJP-UHFFFAOYSA-N
MW316.82 g/mol
LogP4.61
Rot. Bonds3

About N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine (PubChem CID 6539282) has the molecular formula C15H13ClN4S and a molecular weight of 316.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
PubChem CID6539282
Molecular FormulaC15H13ClN4S
Molecular Weight316.82 g/mol
Exact Mass316.05
IUPAC NameN-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3cccc(Cl)c3)n2)s1
InChIInChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-6-7-17-15(20-13)19-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,19,20)
InChIKeyCPJICALSLDLRJP-UHFFFAOYSA-N
XLogP4.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine (CID 6539282) is N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine is Cc1nc(C)c(-c2ccnc(Nc3cccc(Cl)c3)n2)s1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is CPJICALSLDLRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-6-7-17-15(20-13)19-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 316.82 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).