2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide

C21H20N4O2 — CID 109267607

IUPAC2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2ccc(C(C)=O)cc2)nc1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-3-25(19-7-5-4-6-8-19)20(27)17-13-22-21(23-14-17)24-18-11-9-16(10-12-18)15(2)26/h4-14H,3H2,1-2H3,(H,22,23,24)
InChIKeyFAEODCVJUIPMJK-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.09
Rot. Bonds6

About 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide

2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109267607) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109267607
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2ccc(C(C)=O)cc2)nc1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-3-25(19-7-5-4-6-8-19)20(27)17-13-22-21(23-14-17)24-18-11-9-16(10-12-18)15(2)26/h4-14H,3H2,1-2H3,(H,22,23,24)
InChIKeyFAEODCVJUIPMJK-UHFFFAOYSA-N
XLogP4.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109266763
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198507
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243578
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267626
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide (CID 109267607) is 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(Nc2ccc(C(C)=O)cc2)nc1)c1ccccc1.
What is the InChIKey of 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is FAEODCVJUIPMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-25(19-7-5-4-6-8-19)20(27)17-13-22-21(23-14-17)24-18-11-9-16(10-12-18)15(2)26/h4-14H,3H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109267607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).