2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C19H15F3N4O — CID 16719316

IUPAC2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)16-15(17(27)23-11-13-7-3-1-4-8-13)12-24-18(26-16)25-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,23,27)(H,24,25,26)
InChIKeyAPYYXPGNCKIJNP-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.17
Rot. Bonds5

About 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 16719316) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID16719316
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)16-15(17(27)23-11-13-7-3-1-4-8-13)12-24-18(26-16)25-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,23,27)(H,24,25,26)
InChIKeyAPYYXPGNCKIJNP-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-anilino-N-benzyl-4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 16719316) is 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(NCc1ccccc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is APYYXPGNCKIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)16-15(17(27)23-11-13-7-3-1-4-8-13)12-24-18(26-16)25-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,23,27)(H,24,25,26).
What are the key properties of 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 16719316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).