6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide

C22H20N4O2 — CID 112852193

IUPAC6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(C(C)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H20N4O2/c1-3-13-23-22(28)19-14-20(24-18-11-9-16(10-12-18)15(2)27)26-21(25-19)17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3,(H,23,28)(H,24,25,26)
InChIKeyJXQUSEFLJYOXPG-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.01
Rot. Bonds7

About 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide

6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 112852193) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID112852193
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(C(C)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H20N4O2/c1-3-13-23-22(28)19-14-20(24-18-11-9-16(10-12-18)15(2)27)26-21(25-19)17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3,(H,23,28)(H,24,25,26)
InChIKeyJXQUSEFLJYOXPG-UHFFFAOYSA-N
XLogP4.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854257
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
methyl 4-[[2-phenyl-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate
CID 112879681
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
CID 112852480
2-phenyl-N-(4-propan-2-yloxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852058
N-(3-chloro-4-methylphenyl)-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852047
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide (CID 112852193) is 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2ccc(C(C)=O)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is JXQUSEFLJYOXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-3-13-23-22(28)19-14-20(24-18-11-9-16(10-12-18)15(2)27)26-21(25-19)17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3,(H,23,28)(H,24,25,26).
What are the key properties of 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide?
6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).