2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid

C10H7BrN2O4 — CID 136673919

IUPAC2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccoc2Br)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C10H7BrN2O4/c1-4-6(10(15)16)9(14)13-8(12-4)5-2-3-17-7(5)11/h2-3H,1H3,(H,15,16)(H,12,13,14)
InChIKeyMKFFXIYRZKIDHK-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.80
Rot. Bonds2

About 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 136673919) has the molecular formula C10H7BrN2O4 and a molecular weight of 299.08 g/mol. Its IUPAC name is 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID136673919
Molecular FormulaC10H7BrN2O4
Molecular Weight299.08 g/mol
Exact Mass297.96
IUPAC Name2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccoc2Br)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C10H7BrN2O4/c1-4-6(10(15)16)9(14)13-8(12-4)5-2-3-17-7(5)11/h2-3H,1H3,(H,15,16)(H,12,13,14)
InChIKeyMKFFXIYRZKIDHK-UHFFFAOYSA-N
XLogP1.80
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 136673919) is 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid is Cc1nc(-c2ccoc2Br)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is MKFFXIYRZKIDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4/c1-4-6(10(15)16)9(14)13-8(12-4)5-2-3-17-7(5)11/h2-3H,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 299.08 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 136673919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).