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

C15H18F2N4S — CID 139300484

IUPACN-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2ncc(C)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H18F2N4S/c1-9-7-18-13(14-19-10(2)8-22-14)21-12(9)20-11-3-5-15(16,17)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,18,20,21)
InChIKeyQRZMSPIPLKSQBK-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.21
Rot. Bonds3

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

N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139300484) has the molecular formula C15H18F2N4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139300484
Molecular FormulaC15H18F2N4S
Molecular Weight324.40 g/mol
Exact Mass324.12
IUPAC NameN-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2ncc(C)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H18F2N4S/c1-9-7-18-13(14-19-10(2)8-22-14)21-12(9)20-11-3-5-15(16,17)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,18,20,21)
InChIKeyQRZMSPIPLKSQBK-UHFFFAOYSA-N
XLogP4.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139300484) is N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1csc(-c2ncc(C)c(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is QRZMSPIPLKSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4S/c1-9-7-18-13(14-19-10(2)8-22-14)21-12(9)20-11-3-5-15(16,17)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,18,20,21).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 324.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).