6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide

C19H21F3N4O — CID 134333081

IUPAC6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc(-c2ccc(CC3CCC(C(F)(F)F)CN3)cc2)n1
InChIInChI=1S/C19H21F3N4O/c1-11-8-16(17(23)27)26-18(25-11)13-4-2-12(3-5-13)9-15-7-6-14(10-24-15)19(20,21)22/h2-5,8,14-15,24H,6-7,9-10H2,1H3,(H2,23,27)
InChIKeyPCJVJTSHXWJAJL-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.02
Rot. Bonds4

About 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide

6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 134333081) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide
PubChem CID134333081
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc(-c2ccc(CC3CCC(C(F)(F)F)CN3)cc2)n1
InChIInChI=1S/C19H21F3N4O/c1-11-8-16(17(23)27)26-18(25-11)13-4-2-12(3-5-13)9-15-7-6-14(10-24-15)19(20,21)22/h2-5,8,14-15,24H,6-7,9-10H2,1H3,(H2,23,27)
InChIKeyPCJVJTSHXWJAJL-UHFFFAOYSA-N
XLogP3.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide (CID 134333081) is 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide is Cc1cc(C(N)=O)nc(-c2ccc(CC3CCC(C(F)(F)F)CN3)cc2)n1.
What is the InChIKey of 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is PCJVJTSHXWJAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-11-8-16(17(23)27)26-18(25-11)13-4-2-12(3-5-13)9-15-7-6-14(10-24-15)19(20,21)22/h2-5,8,14-15,24H,6-7,9-10H2,1H3,(H2,23,27).
What are the key properties of 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide?
6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 134333081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).