N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide

C18H15N3O — CID 3634035

IUPACN-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2)c1
InChIInChI=1S/C18H15N3O/c1-13-6-5-9-16(10-13)21-18(22)15-11-19-17(20-12-15)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,22)
InChIKeyWVEWWGOQQJNPMU-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.70
Rot. Bonds3

About N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide

N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 3634035) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID3634035
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2)c1
InChIInChI=1S/C18H15N3O/c1-13-6-5-9-16(10-13)21-18(22)15-11-19-17(20-12-15)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,22)
InChIKeyWVEWWGOQQJNPMU-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 53337924
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
6-hydrazinyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 51370235
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide (CID 3634035) is N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is WVEWWGOQQJNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-13-6-5-9-16(10-13)21-18(22)15-11-19-17(20-12-15)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,22).
What are the key properties of N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide?
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 3634035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).