2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide

C20H19N5O2 — CID 109265724

IUPAC2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ncc(C(=O)Nc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C20H19N5O2/c1-13-3-5-17(6-4-13)24-19(27)15-11-21-20(22-12-15)25-18-9-7-16(8-10-18)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyOTXLQLMMUDENCF-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide

2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265724) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265724
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ncc(C(=O)Nc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C20H19N5O2/c1-13-3-5-17(6-4-13)24-19(27)15-11-21-20(22-12-15)25-18-9-7-16(8-10-18)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyOTXLQLMMUDENCF-UHFFFAOYSA-N
XLogP3.74
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247206
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide (CID 109265724) is 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide is CC(=O)Nc1ccc(Nc2ncc(C(=O)Nc3ccc(C)cc3)cn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is OTXLQLMMUDENCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-3-5-17(6-4-13)24-19(27)15-11-21-20(22-12-15)25-18-9-7-16(8-10-18)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,27)(H,21,22,25).
What are the key properties of 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).