2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide

C21H20N4O2 — CID 109267464

IUPAC2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)cc1
InChIInChI=1S/C21H20N4O2/c1-3-15-4-8-18(9-5-15)24-20(27)17-12-22-21(23-13-17)25-19-10-6-16(7-11-19)14(2)26/h4-13H,3H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyNXQIWQVOYSIKPL-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.24
Rot. Bonds6

About 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide

2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267464) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267464
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)cc1
InChIInChI=1S/C21H20N4O2/c1-3-15-4-8-18(9-5-15)24-20(27)17-12-22-21(23-13-17)25-19-10-6-16(7-11-19)14(2)26/h4-13H,3H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyNXQIWQVOYSIKPL-UHFFFAOYSA-N
XLogP4.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide (CID 109267464) is 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is NXQIWQVOYSIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-15-4-8-18(9-5-15)24-20(27)17-12-22-21(23-13-17)25-19-10-6-16(7-11-19)14(2)26/h4-13H,3H2,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide?
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).