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

C12H8F3N3O2 — CID 136666349

IUPAC6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-3-1-2-4-8(7)18-11(20)9-5-10(19)17-6-16-9/h1-6H,(H,18,20)(H,16,17,19)
InChIKeyXQWXXOWCWQKUFS-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.04
Rot. Bonds2

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

6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136666349) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
PubChem CID136666349
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-3-1-2-4-8(7)18-11(20)9-5-10(19)17-6-16-9/h1-6H,(H,18,20)(H,16,17,19)
InChIKeyXQWXXOWCWQKUFS-UHFFFAOYSA-N
XLogP2.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-oxo-N-[2-(trifluoromethyl)phenyl]-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

Related Compounds

N-(2-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666365
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147363
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxamide
CID 110860781
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109222054
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614
6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358063
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide (CID 136666349) is 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc(=O)[nH]cn1.
What is the InChIKey of 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is XQWXXOWCWQKUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)7-3-1-2-4-8(7)18-11(20)9-5-10(19)17-6-16-9/h1-6H,(H,18,20)(H,16,17,19).
What are the key properties of 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide?
6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).