2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide

C18H16N4O — CID 109313398

IUPAC2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)20-17(23)16-11-12-19-18(22-16)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,23)(H,19,21,22)
InChIKeyTXHUWBONKREUME-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds4

About 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide

2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313398) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109313398
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)20-17(23)16-11-12-19-18(22-16)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,23)(H,19,21,22)
InChIKeyTXHUWBONKREUME-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314145
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109313398) is 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is TXHUWBONKREUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)20-17(23)16-11-12-19-18(22-16)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide?
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).