4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid

C7H6N2O4 — CID 136743935

IUPAC4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C7H6N2O4/c10-6-3-1-13-2-4(3)8-5(9-6)7(11)12/h1-2H2,(H,11,12)(H,8,9,10)
InChIKeyZXTRQVHJJJOQFW-UHFFFAOYSA-N
MW182.13 g/mol
LogP-0.50
Rot. Bonds1

About 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid

4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid (PubChem CID 136743935) has the molecular formula C7H6N2O4 and a molecular weight of 182.13 g/mol. Its IUPAC name is 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid
PubChem CID136743935
Molecular FormulaC7H6N2O4
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C7H6N2O4/c10-6-3-1-13-2-4(3)8-5(9-6)7(11)12/h1-2H2,(H,11,12)(H,8,9,10)
InChIKeyZXTRQVHJJJOQFW-UHFFFAOYSA-N
XLogP-0.50
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethoxymethyl)-5-methyl-6-oxo-1H-pyrimidine-2-carboxylic acid
CID 136201157
4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylic acid
CID 136693538
2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid
CID 136693540
2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid
CID 136699525
diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate
CID 137153698

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid (CID 136743935) is 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid is O=C(O)c1nc2c(c(=O)[nH]1)COC2.
What is the InChIKey of 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid?
The InChIKey is ZXTRQVHJJJOQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-6-3-1-13-2-4(3)8-5(9-6)7(11)12/h1-2H2,(H,11,12)(H,8,9,10).
What are the key properties of 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid?
4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid has a molecular weight of 182.13 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 136743935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).