N-methyl-2,4-diphenylpyrimidine-5-carboxamide

C18H15N3O — CID 1470753

IUPACN-methyl-2,4-diphenylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O/c1-19-18(22)15-12-20-17(14-10-6-3-7-11-14)21-16(15)13-8-4-2-5-9-13/h2-12H,1H3,(H,19,22)
InChIKeyKZYJKNHMIKIUGW-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.17
Rot. Bonds3

About N-methyl-2,4-diphenylpyrimidine-5-carboxamide

N-methyl-2,4-diphenylpyrimidine-5-carboxamide (PubChem CID 1470753) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-methyl-2,4-diphenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-diphenylpyrimidine-5-carboxamide
PubChem CID1470753
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-methyl-2,4-diphenylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O/c1-19-18(22)15-12-20-17(14-10-6-3-7-11-14)21-16(15)13-8-4-2-5-9-13/h2-12H,1H3,(H,19,22)
InChIKeyKZYJKNHMIKIUGW-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2,4-diphenylpyrimidine-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 N-methyl-2,4-diphenylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2,4-diphenylpyrimidine-5-carboxamide (CID 1470753) is N-methyl-2,4-diphenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2,4-diphenylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2,4-diphenylpyrimidine-5-carboxamide is CNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-methyl-2,4-diphenylpyrimidine-5-carboxamide?
The InChIKey is KZYJKNHMIKIUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-19-18(22)15-12-20-17(14-10-6-3-7-11-14)21-16(15)13-8-4-2-5-9-13/h2-12H,1H3,(H,19,22).
What are the key properties of N-methyl-2,4-diphenylpyrimidine-5-carboxamide?
N-methyl-2,4-diphenylpyrimidine-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-diphenylpyrimidine-5-carboxamide is sourced from PubChem (CID 1470753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).