ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate

C26H24N2O3 — CID 102408060

IUPACethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)N(c2ccccc2)C(c2ccc(C)cc2)N1c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-31-26(30)23-18-24(29)28(22-12-8-5-9-13-22)25(20-16-14-19(2)15-17-20)27(23)21-10-6-4-7-11-21/h4-18,25H,3H2,1-2H3
InChIKeyRPADFXOUJDBJOG-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.99
Rot. Bonds5

About ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate

ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate (PubChem CID 102408060) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
PubChem CID102408060
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Nameethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)N(c2ccccc2)C(c2ccc(C)cc2)N1c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-31-26(30)23-18-24(29)28(22-12-8-5-9-13-22)25(20-16-14-19(2)15-17-20)27(23)21-10-6-4-7-11-21/h4-18,25H,3H2,1-2H3
InChIKeyRPADFXOUJDBJOG-UHFFFAOYSA-N
XLogP4.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
CID 102408062
ethyl 1,3-dimethyl-6-oxo-2-phenyl-2H-pyrimidine-4-carboxylate
CID 102408068
ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
CID 45064251
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
ethyl (4R)-4-(4-methylphenyl)-1',3'-dioxo-1-phenylspiro[4H-pyrazole-5,2'-indene]-3-carboxylate
CID 979952
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
diethyl 4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-2,3-dicarboxylate
CID 101257938
ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54739891
ethyl (1R,3R,3aR,6aS)-3-methyl-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 7402047
ethyl benzoate;toluene
CID 23150750
ethyl (2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54726189
ethyl (2S,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate (CID 102408060) is ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate is CCOC(=O)C1=CC(=O)N(c2ccccc2)C(c2ccc(C)cc2)N1c1ccccc1.
What is the InChIKey of ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate?
The InChIKey is RPADFXOUJDBJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-31-26(30)23-18-24(29)28(22-12-8-5-9-13-22)25(20-16-14-19(2)15-17-20)27(23)21-10-6-4-7-11-21/h4-18,25H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate?
ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate is sourced from PubChem (CID 102408060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).