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

C15H17ClF2N4S — CID 139300077

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2nc(Cl)c(C)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H17ClF2N4S/c1-8-7-23-14(19-8)13-21-11(16)9(2)12(22-13)20-10-3-5-15(17,18)6-4-10/h7,10H,3-6H2,1-2H3,(H,20,21,22)
InChIKeyAQCDBEZXANXVGP-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.86
Rot. Bonds3

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

6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139300077) has the molecular formula C15H17ClF2N4S and a molecular weight of 358.85 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139300077
Molecular FormulaC15H17ClF2N4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2nc(Cl)c(C)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H17ClF2N4S/c1-8-7-23-14(19-8)13-21-11(16)9(2)12(22-13)20-10-3-5-15(17,18)6-4-10/h7,10H,3-6H2,1-2H3,(H,20,21,22)
InChIKeyAQCDBEZXANXVGP-UHFFFAOYSA-N
XLogP4.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139300077) is 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1csc(-c2nc(Cl)c(C)c(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is AQCDBEZXANXVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4S/c1-8-7-23-14(19-8)13-21-11(16)9(2)12(22-13)20-10-3-5-15(17,18)6-4-10/h7,10H,3-6H2,1-2H3,(H,20,21,22).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 358.85 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).