6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide

C23H24N4O2 — CID 112854257

IUPAC6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccc(C(C)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-4-27(5-2)23(29)20-15-21(24-19-13-11-17(12-14-19)16(3)28)26-22(25-20)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,24,25,26)
InChIKeyZXHHECGORWSURQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.57
Rot. Bonds7

About 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide

6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854257) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112854257
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccc(C(C)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-4-27(5-2)23(29)20-15-21(24-19-13-11-17(12-14-19)16(3)28)26-22(25-20)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,24,25,26)
InChIKeyZXHHECGORWSURQ-UHFFFAOYSA-N
XLogP4.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-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

6-(2-chloroanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854247
6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852193
N,N-diethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854269
6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854264
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N-[4-[[6-(diethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881584
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 112880138
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853712

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide (CID 112854257) is 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2ccc(C(C)=O)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is ZXHHECGORWSURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-27(5-2)23(29)20-15-21(24-19-13-11-17(12-14-19)16(3)28)26-22(25-20)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,24,25,26).
What are the key properties of 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide?
6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).