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

C10H8N2O4 — CID 135881427

IUPAC2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccco2)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C10H8N2O4/c1-5-7(10(14)15)9(13)12-8(11-5)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKeyRGHGISXYJTWAEH-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.04
Rot. Bonds2

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

2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 135881427) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID135881427
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccco2)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C10H8N2O4/c1-5-7(10(14)15)9(13)12-8(11-5)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKeyRGHGISXYJTWAEH-UHFFFAOYSA-N
XLogP1.04
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 135881427) is 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid is Cc1nc(-c2ccco2)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is RGHGISXYJTWAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-5-7(10(14)15)9(13)12-8(11-5)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135881427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).