ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate

C32H30N2O2 — CID 45064251

IUPACethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(c2ccccc2)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H30N2O2/c1-3-36-32(35)29-24(2)33(27-20-12-6-13-21-27)31(26-18-10-5-11-19-26)34(28-22-14-7-15-23-28)30(29)25-16-8-4-9-17-25/h4-23,30-31H,3H2,1-2H3
InChIKeyVSWQCQKWKZAIOA-UHFFFAOYSA-N
MW474.60 g/mol
LogP7.29
Rot. Bonds6

About ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate

ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate (PubChem CID 45064251) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
PubChem CID45064251
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Nameethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(c2ccccc2)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H30N2O2/c1-3-36-32(35)29-24(2)33(27-20-12-6-13-21-27)31(26-18-10-5-11-19-26)34(28-22-14-7-15-23-28)30(29)25-16-8-4-9-17-25/h4-23,30-31H,3H2,1-2H3
InChIKeyVSWQCQKWKZAIOA-UHFFFAOYSA-N
XLogP7.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389
tetraethyl 3,6,9,12-tetraphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5,7,11-tetracarboxylate
CID 73212303
ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162663143
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162674101
ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
CID 174676086
ethyl (4R)-3-acetyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
CID 7003889
ethyl (5S)-3,7-dimethyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 39819551
ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
CID 102408060
ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 74392398

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate (CID 45064251) is ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(c2ccccc2)C(c2ccccc2)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate?
The InChIKey is VSWQCQKWKZAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-3-36-32(35)29-24(2)33(27-20-12-6-13-21-27)31(26-18-10-5-11-19-26)34(28-22-14-7-15-23-28)30(29)25-16-8-4-9-17-25/h4-23,30-31H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate?
ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate has a molecular weight of 474.60 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 45064251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).