2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine

C21H17ClN4S — CID 108779624

IUPAC2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)nc(Cl)n1
InChIInChI=1S/C21H17ClN4S/c1-13-5-3-4-6-17(13)20-25-18(12-27-20)15-7-9-16(10-8-15)24-19-11-14(2)23-21(22)26-19/h3-12H,1-2H3,(H,23,24,26)
InChIKeyAINCWFSPUBJUAC-UHFFFAOYSA-N
MW392.92 g/mol
LogP6.28
Rot. Bonds4

About 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine

2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine (PubChem CID 108779624) has the molecular formula C21H17ClN4S and a molecular weight of 392.92 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
PubChem CID108779624
Molecular FormulaC21H17ClN4S
Molecular Weight392.92 g/mol
Exact Mass392.09
IUPAC Name2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)nc(Cl)n1
InChIInChI=1S/C21H17ClN4S/c1-13-5-3-4-6-17(13)20-25-18(12-27-20)15-7-9-16(10-8-15)24-19-11-14(2)23-21(22)26-19/h3-12H,1-2H3,(H,23,24,26)
InChIKeyAINCWFSPUBJUAC-UHFFFAOYSA-N
XLogP6.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.92
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine
CID 108779606
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748089
2-chloro-6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 108775751
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779643
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-7H-purin-6-amine
CID 108779625
2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770123
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
N-[[4-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776313
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
2-bromo-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine (CID 108779624) is 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine is Cc1cc(Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine?
The InChIKey is AINCWFSPUBJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4S/c1-13-5-3-4-6-17(13)20-25-18(12-27-20)15-7-9-16(10-8-15)24-19-11-14(2)23-21(22)26-19/h3-12H,1-2H3,(H,23,24,26).
What are the key properties of 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine has a molecular weight of 392.92 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108779624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).