ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H18N2O6 — CID 54583891

IUPACethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1coc2cc3occc3cc2c1=O
InChIInChI=1S/C24H18N2O6/c1-2-30-23(28)19-20(13-6-4-3-5-7-13)25-24(29)26-21(19)16-12-32-18-11-17-14(8-9-31-17)10-15(18)22(16)27/h3-12,21H,2H2,1H3,(H2,25,26,29)
InChIKeyNDZPSQQHVYIEHV-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.87
Rot. Bonds4

About ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 54583891) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID54583891
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Nameethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1coc2cc3occc3cc2c1=O
InChIInChI=1S/C24H18N2O6/c1-2-30-23(28)19-20(13-6-4-3-5-7-13)25-24(29)26-21(19)16-12-32-18-11-17-14(8-9-31-17)10-15(18)22(16)27/h3-12,21H,2H2,1H3,(H2,25,26,29)
InChIKeyNDZPSQQHVYIEHV-UHFFFAOYSA-N
XLogP3.87
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 54583890
ethyl (4R)-4-(5-bromo-2-hydroxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 6596382
ethyl 4-(5-chloro-2,3-dimethoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2907295
2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 54582888
ethyl (4R)-4-(3,4-dihydroxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2313219
ethyl 2-oxo-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4652033
ethyl (4S)-4-(3,4-dichlorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1287108
ethyl 4-(3-chlorophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3787976
ethyl 4-(2-hydroxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842622
ethyl (4S)-4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1108932
ethyl 4-ethyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 166450039
ethyl 2-oxo-6-phenyl-4-(4-propylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 23988201

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 54583891) is ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1coc2cc3occc3cc2c1=O.
What is the InChIKey of ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is NDZPSQQHVYIEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O6/c1-2-30-23(28)19-20(13-6-4-3-5-7-13)25-24(29)26-21(19)16-12-32-18-11-17-14(8-9-31-17)10-15(18)22(16)27/h3-12,21H,2H2,1H3,(H2,25,26,29).
What are the key properties of ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 430.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 54583891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).