ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate

C25H22N2O4 — CID 101419003

IUPACethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N(C(=O)c2cccc3ccccc23)C(=O)NC1C
InChIInChI=1S/C25H22N2O4/c1-3-31-24(29)21-16(2)26-25(30)27(22(21)18-11-5-4-6-12-18)23(28)20-15-9-13-17-10-7-8-14-19(17)20/h4-16H,3H2,1-2H3,(H,26,30)
InChIKeyUVXDWIUDDDNYHF-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.37
Rot. Bonds4

About ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate

ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 101419003) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID101419003
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Nameethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N(C(=O)c2cccc3ccccc23)C(=O)NC1C
InChIInChI=1S/C25H22N2O4/c1-3-31-24(29)21-16(2)26-25(30)27(22(21)18-11-5-4-6-12-18)23(28)20-15-9-13-17-10-7-8-14-19(17)20/h4-16H,3H2,1-2H3,(H,26,30)
InChIKeyUVXDWIUDDDNYHF-UHFFFAOYSA-N
XLogP4.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2,6-dimethyl-4-phenyl-1,2-dihydropyridine-3,5-dicarboxylate
CID 141416845
ethyl (4S)-4-methyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 829422
ethyl (3R)-3-methyl-2-oxo-3,4-dihydrobenzo[h][1,4]benzoxazine-5-carboxylate
CID 154721096
ethyl chrysene-1-carboxylate
CID 86251232
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984
ethyl 6-[3-(naphthalen-1-ylcarbamoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661608
3-O-ethyl 5-O-methyl 6-methyl-2,4-diphenyl-2,6-dihydro-1H-pyrimidine-3,5-dicarboxylate
CID 102049007
ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27276049
ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 18670784
ethyl (4R)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691366
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 6-(2-chlorophenyl)-3-methyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 2830425

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate (CID 101419003) is ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)N(C(=O)c2cccc3ccccc23)C(=O)NC1C.
What is the InChIKey of ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is UVXDWIUDDDNYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-3-31-24(29)21-16(2)26-25(30)27(22(21)18-11-5-4-6-12-18)23(28)20-15-9-13-17-10-7-8-14-19(17)20/h4-16H,3H2,1-2H3,(H,26,30).
What are the key properties of ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate?
ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-3-(naphthalene-1-carbonyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 101419003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).