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

C18H15N3O — CID 47778991

IUPACN-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H15N3O/c1-13-7-5-6-10-16(13)21-18(22)15-11-19-17(20-12-15)14-8-3-2-4-9-14/h2-12H,1H3,(H,21,22)
InChIKeyAVTPLTJXOVPEGQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.70
Rot. Bonds3

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

N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 47778991) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID47778991
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H15N3O/c1-13-7-5-6-10-16(13)21-18(22)15-11-19-17(20-12-15)14-8-3-2-4-9-14/h2-12H,1H3,(H,21,22)
InChIKeyAVTPLTJXOVPEGQ-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

6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
N-(2-methylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 53014251
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756
N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide
CID 68559101
2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide
CID 86344873
N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158760114
2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
2-(4-formylpiperazin-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109254513
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide (CID 47778991) is N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide is Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is AVTPLTJXOVPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-13-7-5-6-10-16(13)21-18(22)15-11-19-17(20-12-15)14-8-3-2-4-9-14/h2-12H,1H3,(H,21,22).
What are the key properties of N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide?
N-(2-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-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 47778991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).