2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide

C17H16F3N3O2 — CID 136950372

IUPAC2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)cc(=O)[nH]1
InChIInChI=1S/C17H16F3N3O2/c1-10-21-13(9-14(24)22-10)15(25)23-16(7-2-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyWKPVUPNHIVFLFP-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.91
Rot. Bonds3

About 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide

2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136950372) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
PubChem CID136950372
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)cc(=O)[nH]1
InChIInChI=1S/C17H16F3N3O2/c1-10-21-13(9-14(24)22-10)15(25)23-16(7-2-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyWKPVUPNHIVFLFP-UHFFFAOYSA-N
XLogP2.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-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 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide (CID 136950372) is 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is WKPVUPNHIVFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-10-21-13(9-14(24)22-10)15(25)23-16(7-2-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide?
2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136950372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).