ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate

C13H12N2O4 — CID 107921729

IUPACethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccc(O)c2)[nH]c1=O
InChIInChI=1S/C13H12N2O4/c1-2-19-13(18)10-7-14-11(15-12(10)17)8-4-3-5-9(16)6-8/h3-7,16H,2H2,1H3,(H,14,15,17)
InChIKeyGFXRQNZDDPFAOK-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.32
Rot. Bonds3

About ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 107921729) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID107921729
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Nameethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccc(O)c2)[nH]c1=O
InChIInChI=1S/C13H12N2O4/c1-2-19-13(18)10-7-14-11(15-12(10)17)8-4-3-5-9(16)6-8/h3-7,16H,2H2,1H3,(H,14,15,17)
InChIKeyGFXRQNZDDPFAOK-UHFFFAOYSA-N
XLogP1.32
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022472
ethyl 2-[4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)phenyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 172698248
ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 12535820
ethyl 2-(3-methylimidazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 82903966
3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol
CID 50980518
ethyl 2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022661
ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 92648692
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 127244382
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
2-(3-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021110
ethyl 2-[(3-bromophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 66158855

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 107921729) is ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cccc(O)c2)[nH]c1=O.
What is the InChIKey of ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is GFXRQNZDDPFAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-19-13(18)10-7-14-11(15-12(10)17)8-4-3-5-9(16)6-8/h3-7,16H,2H2,1H3,(H,14,15,17).
What are the key properties of ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 107921729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).