5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

C18H20F2N4O2 — CID 170346746

IUPAC5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(C2CCC(F)(F)CC2)nc(C(N)=O)c1N
InChIInChI=1S/C18H20F2N4O2/c1-9-2-3-11(25)8-12(9)14-13(21)15(16(22)26)24-17(23-14)10-4-6-18(19,20)7-5-10/h2-3,8,10,25H,4-7,21H2,1H3,(H2,22,26)
InChIKeyHPIXLAQNUDYZJL-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.13
Rot. Bonds3

About 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 170346746) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID170346746
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(C2CCC(F)(F)CC2)nc(C(N)=O)c1N
InChIInChI=1S/C18H20F2N4O2/c1-9-2-3-11(25)8-12(9)14-13(21)15(16(22)26)24-17(23-14)10-4-6-18(19,20)7-5-10/h2-3,8,10,25H,4-7,21H2,1H3,(H2,22,26)
InChIKeyHPIXLAQNUDYZJL-UHFFFAOYSA-N
XLogP3.13
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-Amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283549
5-Amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283560
5-Amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283575
5-Amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283593
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 177283637
5-Amino-2-[2-(2,2-difluoroethylamino)-5-fluoro-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 170346611
5-Amino-2-(4,4-difluorocyclohexen-1-yl)-6-[5-(methoxymethoxy)-2-methylphenyl]pyrimidine-4-carboxamide
CID 170346615
5-Amino-2-(4,4-difluorocyclohexyl)-6-[5-(methoxymethoxy)-2-methylphenyl]pyrimidine-4-carboxamide
CID 170346788
5-Amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 175958735
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-(oxan-4-yl)pyrimidine-4-carboxamide
CID 170346650
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 170346759
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 177283419

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 170346746) is 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(C2CCC(F)(F)CC2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HPIXLAQNUDYZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-9-2-3-11(25)8-12(9)14-13(21)15(16(22)26)24-17(23-14)10-4-6-18(19,20)7-5-10/h2-3,8,10,25H,4-7,21H2,1H3,(H2,22,26).
What are the key properties of 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170346746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).