2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H22N2O6 — CID 54582888

IUPAC2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOCCOC(=O)C1=C(C)NC(=O)NC1c1coc2ccc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C24H22N2O6/c1-14-20(23(28)31-11-10-30-2)21(26-24(29)25-14)18-13-32-19-9-8-16(12-17(19)22(18)27)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H2,25,26,29)
InChIKeyIJTPGCCQUNDDDM-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.28
Rot. Bonds6

About 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 54582888) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID54582888
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOCCOC(=O)C1=C(C)NC(=O)NC1c1coc2ccc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C24H22N2O6/c1-14-20(23(28)31-11-10-30-2)21(26-24(29)25-14)18-13-32-19-9-8-16(12-17(19)22(18)27)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H2,25,26,29)
InChIKeyIJTPGCCQUNDDDM-UHFFFAOYSA-N
XLogP3.28
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 54583890
2-methoxyethyl (4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7733634
ethyl 2-oxo-4-(5-oxofuro[3,2-g]chromen-6-yl)-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 54583891
2-methoxyethyl (4S)-6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8811004
ethyl 4-(6-bromo-4-oxochromen-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 54580900
2-methoxyethyl (4R)-6-methyl-4-(5-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7258816
2-methoxyethyl (4S)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7111647
2-methoxyethyl (4R)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7066570
2-phenoxyethyl (4S)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7125042
2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3415240
methyl (4S)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 698630
2-ethylsulfanylethyl (4S)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7112442

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 54582888) is 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is COCCOC(=O)C1=C(C)NC(=O)NC1c1coc2ccc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is IJTPGCCQUNDDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-14-20(23(28)31-11-10-30-2)21(26-24(29)25-14)18-13-32-19-9-8-16(12-17(19)22(18)27)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H2,25,26,29).
What are the key properties of 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 434.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 54582888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).