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

C13H13ClF2N4S — CID 139300416

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(Cl)nc(-c3nccs3)n2)CC1
InChIInChI=1S/C13H13ClF2N4S/c14-9-7-10(18-8-1-3-13(15,16)4-2-8)20-11(19-9)12-17-5-6-21-12/h5-8H,1-4H2,(H,18,19,20)
InChIKeyRBSJVAJFOWFEHS-UHFFFAOYSA-N
MW330.79 g/mol
LogP4.24
Rot. Bonds3

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

6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139300416) has the molecular formula C13H13ClF2N4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139300416
Molecular FormulaC13H13ClF2N4S
Molecular Weight330.79 g/mol
Exact Mass330.05
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(Cl)nc(-c3nccs3)n2)CC1
InChIInChI=1S/C13H13ClF2N4S/c14-9-7-10(18-8-1-3-13(15,16)4-2-8)20-11(19-9)12-17-5-6-21-12/h5-8H,1-4H2,(H,18,19,20)
InChIKeyRBSJVAJFOWFEHS-UHFFFAOYSA-N
XLogP4.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.24
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)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139300416) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is FC1(F)CCC(Nc2cc(Cl)nc(-c3nccs3)n2)CC1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is RBSJVAJFOWFEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4S/c14-9-7-10(18-8-1-3-13(15,16)4-2-8)20-11(19-9)12-17-5-6-21-12/h5-8H,1-4H2,(H,18,19,20).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 330.79 g/mol, XLogP of 4.24, 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)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).