2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine

C14H11ClN4S — CID 107125310

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C14H11ClN4S/c1-16-12-7-10(9-5-3-2-4-6-9)18-13(19-12)14-17-8-11(15)20-14/h2-8H,1H3,(H,16,18,19)
InChIKeyCZODLJMLQKLQPE-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.96
Rot. Bonds3

About 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine

2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 107125310) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID107125310
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C14H11ClN4S/c1-16-12-7-10(9-5-3-2-4-6-9)18-13(19-12)14-17-8-11(15)20-14/h2-8H,1H3,(H,16,18,19)
InChIKeyCZODLJMLQKLQPE-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 107125280
N-methyl-6-phenyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 62192476
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 107125410
[2-(5-chloro-1,3-thiazol-2-yl)-5-methyl-6-phenylpyrimidin-4-yl]hydrazine
CID 107125450
2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 63479339
N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 62192127
N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
CID 112559733
N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine
CID 115915115
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine (CID 107125310) is 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine is CNc1cc(-c2ccccc2)nc(-c2ncc(Cl)s2)n1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is CZODLJMLQKLQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c1-16-12-7-10(9-5-3-2-4-6-9)18-13(19-12)14-17-8-11(15)20-14/h2-8H,1H3,(H,16,18,19).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 302.79 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 107125310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).