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

C14H17ClN4S — CID 139300154

IUPAC6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
SMILESCc1nc(-c2nc(Cl)cc(NC3CCCCC3)n2)cs1
InChIInChI=1S/C14H17ClN4S/c1-9-16-11(8-20-9)14-18-12(15)7-13(19-14)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,18,19)
InChIKeyMBCZLHSMELEVCI-UHFFFAOYSA-N
MW308.84 g/mol
LogP4.31
Rot. Bonds3

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

6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine (PubChem CID 139300154) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
PubChem CID139300154
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
SMILESCc1nc(-c2nc(Cl)cc(NC3CCCCC3)n2)cs1
InChIInChI=1S/C14H17ClN4S/c1-9-16-11(8-20-9)14-18-12(15)7-13(19-14)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,18,19)
InChIKeyMBCZLHSMELEVCI-UHFFFAOYSA-N
XLogP4.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine
CID 18446626
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 139300814
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139319883
6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
CID 158994617
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
N-cyclopentyl-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117946
2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
CID 82460547

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine (CID 139300154) is 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine is Cc1nc(-c2nc(Cl)cc(NC3CCCCC3)n2)cs1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The InChIKey is MBCZLHSMELEVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-9-16-11(8-20-9)14-18-12(15)7-13(19-14)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine has a molecular weight of 308.84 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).