6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid

C12H10N2O4 — CID 82384684

IUPAC6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2[nH]c(=O)ncc2C(=O)O)c1
InChIInChI=1S/C12H10N2O4/c1-18-8-4-2-3-7(5-8)10-9(11(15)16)6-13-12(17)14-10/h2-6H,1H3,(H,15,16)(H,13,14,17)
InChIKeyQAZCEGKCPCZZOL-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.14
Rot. Bonds3

About 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid

6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 82384684) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID82384684
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2[nH]c(=O)ncc2C(=O)O)c1
InChIInChI=1S/C12H10N2O4/c1-18-8-4-2-3-7(5-8)10-9(11(15)16)6-13-12(17)14-10/h2-6H,1H3,(H,15,16)(H,13,14,17)
InChIKeyQAZCEGKCPCZZOL-UHFFFAOYSA-N
XLogP1.14
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 83711439
6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82085699
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one
CID 91050599
4-(difluoromethyl)-2-(3-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 62891615
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-(3-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809725

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 82384684) is 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid is COc1cccc(-c2[nH]c(=O)ncc2C(=O)O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is QAZCEGKCPCZZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-8-4-2-3-7(5-8)10-9(11(15)16)6-13-12(17)14-10/h2-6H,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82384684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).