ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate

C20H18N2O4 — CID 118006121

IUPACethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)n(-c2ccccc2OC)c1=O
InChIInChI=1S/C20H18N2O4/c1-3-26-20(24)15-13-21-18(14-9-5-4-6-10-14)22(19(15)23)16-11-7-8-12-17(16)25-2/h4-13H,3H2,1-2H3
InChIKeyGMRBKRLUOIKWFH-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.08
Rot. Bonds5

About ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate

ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate (PubChem CID 118006121) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
PubChem CID118006121
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)n(-c2ccccc2OC)c1=O
InChIInChI=1S/C20H18N2O4/c1-3-26-20(24)15-13-21-18(14-9-5-4-6-10-14)22(19(15)23)16-11-7-8-12-17(16)25-2/h4-13H,3H2,1-2H3
InChIKeyGMRBKRLUOIKWFH-UHFFFAOYSA-N
XLogP3.08
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-fluorophenyl)-2-methoxy-6-oxopyrimidine-5-carboxylate
CID 141474030
ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
CID 162661401
ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
CID 162669788
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216595
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
CID 162649213
ethyl 2-(3-ethyl-4-phenylpyrrol-1-yl)-5-methoxypyridine-4-carboxylate
CID 163800230
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 139230217
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate (CID 118006121) is ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)n(-c2ccccc2OC)c1=O.
What is the InChIKey of ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate?
The InChIKey is GMRBKRLUOIKWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-26-20(24)15-13-21-18(14-9-5-4-6-10-14)22(19(15)23)16-11-7-8-12-17(16)25-2/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate?
ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 118006121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).