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

C14H14ClF3N4S — CID 139300286

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2nc(Cl)c(F)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C14H14ClF3N4S/c1-7-6-23-13(19-7)12-21-10(15)9(16)11(22-12)20-8-2-4-14(17,18)5-3-8/h6,8H,2-5H2,1H3,(H,20,21,22)
InChIKeyPCEBZUGJMXPPHL-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.69
Rot. Bonds3

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

6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139300286) has the molecular formula C14H14ClF3N4S and a molecular weight of 362.81 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139300286
Molecular FormulaC14H14ClF3N4S
Molecular Weight362.81 g/mol
Exact Mass362.06
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2nc(Cl)c(F)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C14H14ClF3N4S/c1-7-6-23-13(19-7)12-21-10(15)9(16)11(22-12)20-8-2-4-14(17,18)5-3-8/h6,8H,2-5H2,1H3,(H,20,21,22)
InChIKeyPCEBZUGJMXPPHL-UHFFFAOYSA-N
XLogP4.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.69
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-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139300286) is 6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1csc(-c2nc(Cl)c(F)c(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is PCEBZUGJMXPPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4S/c1-7-6-23-13(19-7)12-21-10(15)9(16)11(22-12)20-8-2-4-14(17,18)5-3-8/h6,8H,2-5H2,1H3,(H,20,21,22).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 362.81 g/mol, XLogP of 4.69, 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-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).