N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide

C19H25F2N5O2 — CID 166481701

IUPACN-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cncc1-c1nc(C(=O)NC2CCC(C(F)F)CC2)cc(C(C)(C)O)n1
InChIInChI=1S/C19H25F2N5O2/c1-19(2,28)15-8-13(24-17(25-15)14-9-22-10-26(14)3)18(27)23-12-6-4-11(5-7-12)16(20)21/h8-12,16,28H,4-7H2,1-3H3,(H,23,27)
InChIKeyWULYVZXVVIHYDI-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.66
Rot. Bonds5

About N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide

N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 166481701) has the molecular formula C19H25F2N5O2 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
PubChem CID166481701
Molecular FormulaC19H25F2N5O2
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC NameN-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cncc1-c1nc(C(=O)NC2CCC(C(F)F)CC2)cc(C(C)(C)O)n1
InChIInChI=1S/C19H25F2N5O2/c1-19(2,28)15-8-13(24-17(25-15)14-9-22-10-26(14)3)18(27)23-12-6-4-11(5-7-12)16(20)21/h8-12,16,28H,4-7H2,1-3H3,(H,23,27)
InChIKeyWULYVZXVVIHYDI-UHFFFAOYSA-N
XLogP2.66
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)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

N-(4-methoxycyclohexyl)-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
CID 166481300
N-cyclohexyl-6-(4,4-difluoro-1-hydroxycyclohexyl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;methanol
CID 166480907
N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol
CID 166481588
6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 166481158
N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane
CID 166481244
N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide
CID 166481201
6-(4,4-difluorocyclohexyl)-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 166481298
2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 166481504
2-chloro-N-cyclopropyl-2-(3-methylimidazol-4-yl)acetamide
CID 66119152
N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-fluoro-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2-(fluoromethyl)but-1-ene;molecular hydrogen
CID 166481252
5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466393
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166481353

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide (CID 166481701) is N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide is Cn1cncc1-c1nc(C(=O)NC2CCC(C(F)F)CC2)cc(C(C)(C)O)n1.
What is the InChIKey of N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is WULYVZXVVIHYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O2/c1-19(2,28)15-8-13(24-17(25-15)14-9-22-10-26(14)3)18(27)23-12-6-4-11(5-7-12)16(20)21/h8-12,16,28H,4-7H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166481701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).