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

C12H10N2O4 — CID 12535855

IUPAC2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2ncc(C(=O)O)c(=O)[nH]2)c1
InChIInChI=1S/C12H10N2O4/c1-18-8-4-2-3-7(5-8)10-13-6-9(12(16)17)11(15)14-10/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyUJIVDKRPJUYDBA-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.14
Rot. Bonds3

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

2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 12535855) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID12535855
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2ncc(C(=O)O)c(=O)[nH]2)c1
InChIInChI=1S/C12H10N2O4/c1-18-8-4-2-3-7(5-8)10-13-6-9(12(16)17)11(15)14-10/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyUJIVDKRPJUYDBA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 12535855) is 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COc1cccc(-c2ncc(C(=O)O)c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is UJIVDKRPJUYDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-8-4-2-3-7(5-8)10-13-6-9(12(16)17)11(15)14-10/h2-6H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(3-methoxyphenyl)-6-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 2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 12535855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).