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

C25H21FN2O3 — CID 102408062

IUPACethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)N(c2ccccc2)C(c2ccc(F)cc2)N1c1ccccc1
InChIInChI=1S/C25H21FN2O3/c1-2-31-25(30)22-17-23(29)28(21-11-7-4-8-12-21)24(18-13-15-19(26)16-14-18)27(22)20-9-5-3-6-10-20/h3-17,24H,2H2,1H3
InChIKeyJTPBHWMFGNRASO-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.82
Rot. Bonds5

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

ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate (PubChem CID 102408062) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
PubChem CID102408062
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Nameethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)N(c2ccccc2)C(c2ccc(F)cc2)N1c1ccccc1
InChIInChI=1S/C25H21FN2O3/c1-2-31-25(30)22-17-23(29)28(21-11-7-4-8-12-21)24(18-13-15-19(26)16-14-18)27(22)20-9-5-3-6-10-20/h3-17,24H,2H2,1H3
InChIKeyJTPBHWMFGNRASO-UHFFFAOYSA-N
XLogP4.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
CID 102408060
ethyl 1,3-dimethyl-6-oxo-2-phenyl-2H-pyrimidine-4-carboxylate
CID 102408068
diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
CID 45064251
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-(4-fluorophenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46276470
ethyl 3-phenyl-1,2-dihydrotriazole-4-carboxylate
CID 142316996
ethyl 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxylate
CID 5129065
ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate
CID 626287
ethyl (2R,3R)-1-benzhydryl-3-(4-fluorophenyl)aziridine-2-carboxylate
CID 101477953

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate (CID 102408062) is ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate is CCOC(=O)C1=CC(=O)N(c2ccccc2)C(c2ccc(F)cc2)N1c1ccccc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate?
The InChIKey is JTPBHWMFGNRASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-2-31-25(30)22-17-23(29)28(21-11-7-4-8-12-21)24(18-13-15-19(26)16-14-18)27(22)20-9-5-3-6-10-20/h3-17,24H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate?
ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate has a molecular weight of 416.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate is sourced from PubChem (CID 102408062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).