6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C18H13F3N4O — CID 109346615

IUPAC6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C18H13F3N4O/c19-12-6-7-13(17(21)16(12)20)25-18(26)14-8-15(24-10-23-14)22-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,25,26)(H,22,23,24)
InChIKeyLGKPHPOZHVTVSS-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.76
Rot. Bonds5

About 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109346615) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109346615
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C18H13F3N4O/c19-12-6-7-13(17(21)16(12)20)25-18(26)14-8-15(24-10-23-14)22-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,25,26)(H,22,23,24)
InChIKeyLGKPHPOZHVTVSS-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-(benzylamino)-N-(2,3,4-trifluorophenyl)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

6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
6-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109348577
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555
6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109347875
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109346609
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348315

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109346615) is 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is LGKPHPOZHVTVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-12-6-7-13(17(21)16(12)20)25-18(26)14-8-15(24-10-23-14)22-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,25,26)(H,22,23,24).
What are the key properties of 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).