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

C16H15ClN4S — CID 70946567

IUPACN-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3nc(C)c(C)s3)n2)ccc1Cl
InChIInChI=1S/C16H15ClN4S/c1-9-8-12(4-5-13(9)17)20-16-18-7-6-14(21-16)15-19-10(2)11(3)22-15/h4-8H,1-3H3,(H,18,20,21)
InChIKeyZPXJDECDDWFGRL-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.92
Rot. Bonds3

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

N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 70946567) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID70946567
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC NameN-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3nc(C)c(C)s3)n2)ccc1Cl
InChIInChI=1S/C16H15ClN4S/c1-9-8-12(4-5-13(9)17)20-16-18-7-6-14(21-16)15-19-10(2)11(3)22-15/h4-8H,1-3H3,(H,18,20,21)
InChIKeyZPXJDECDDWFGRL-UHFFFAOYSA-N
XLogP4.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11538234
N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 58974728
N-(4-chloro-3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11255564
4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
CID 58974828
N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11231940
N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 66503169
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58974646
5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
CID 168509796
N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 67348661
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine (CID 70946567) is N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3nc(C)c(C)s3)n2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is ZPXJDECDDWFGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c1-9-8-12(4-5-13(9)17)20-16-18-7-6-14(21-16)15-19-10(2)11(3)22-15/h4-8H,1-3H3,(H,18,20,21).
What are the key properties of N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 330.84 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 70946567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).