6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C19H21F3N4O — CID 109323058

IUPAC6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H21F3N4O/c1-12-7-9-26(10-8-12)18-23-13(2)11-16(25-18)17(27)24-15-5-3-14(4-6-15)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)
InChIKeyZMUZFRPKWXXPLL-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.29
Rot. Bonds3

About 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109323058) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109323058
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H21F3N4O/c1-12-7-9-26(10-8-12)18-23-13(2)11-16(25-18)17(27)24-15-5-3-14(4-6-15)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)
InChIKeyZMUZFRPKWXXPLL-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]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

6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323095
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323021
4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109205376
N-(1,3-benzodioxol-5-yl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323074
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323015
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323043

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109323058) is 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(N2CCC(C)CC2)n1.
What is the InChIKey of 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is ZMUZFRPKWXXPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-12-7-9-26(10-8-12)18-23-13(2)11-16(25-18)17(27)24-15-5-3-14(4-6-15)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27).
What are the key properties of 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109323058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).