N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide

C12H8F3N3O2 — CID 160971562

IUPACN-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cncnc1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)20-10-3-1-9(2-4-10)18-11(19)8-5-16-7-17-6-8/h1-7H,(H,18,19)
InChIKeySYIAGFHEMACSPL-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.63
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide

N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide (PubChem CID 160971562) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
PubChem CID160971562
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC NameN-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cncnc1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)20-10-3-1-9(2-4-10)18-11(19)8-5-16-7-17-6-8/h1-7H,(H,18,19)
InChIKeySYIAGFHEMACSPL-UHFFFAOYSA-N
XLogP2.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-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-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 174836469
6-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 154012609
N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
6-(butylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919388
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide (CID 160971562) is N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncnc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide?
The InChIKey is SYIAGFHEMACSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)20-10-3-1-9(2-4-10)18-11(19)8-5-16-7-17-6-8/h1-7H,(H,18,19).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide?
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 160971562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).