4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid

C7H5N3O3 — CID 135408952

IUPAC4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C7H5N3O3/c11-6-5-4(9-2-10-6)3(1-8-5)7(12)13/h1-2,8H,(H,12,13)(H,9,10,11)
InChIKeyHCRPEPKPPKRFIH-UHFFFAOYSA-N
MW179.13 g/mol
LogP-0.05
Rot. Bonds1

About 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid

4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 135408952) has the molecular formula C7H5N3O3 and a molecular weight of 179.13 g/mol. Its IUPAC name is 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID135408952
Molecular FormulaC7H5N3O3
Molecular Weight179.13 g/mol
Exact Mass179.03
IUPAC Name4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C7H5N3O3/c11-6-5-4(9-2-10-6)3(1-8-5)7(12)13/h1-2,8H,(H,12,13)(H,9,10,11)
InChIKeyHCRPEPKPPKRFIH-UHFFFAOYSA-N
XLogP-0.05
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-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

Related Compounds

Bvrxdffpqaiffp-uhfffaoysa-
CID 135408953
Tetrahydropyrrolopyrimidine-7-carboxylic acid
CID 129796845
methyl 4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 135409708
7-(2-Hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408236
7-(3-Hydroxypropoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408954
5-carbamoyl-1H-pyrrole-3-carboxylic acid
CID 39870766
5-(aminocarbonyl)-4-methyl-1H-Pyrrole-3-carboxylic acid
CID 18179721
5-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 18754124
3-amino-1H-pyrrole-2,4-dicarboxylic acid
CID 22271869
7-Hydroxy-1H-pyrrolo[2,3-C]pyridine-3-carboxylic acid
CID 53413178
methyl 4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 57499744
3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 58328223

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid (CID 135408952) is 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid is O=C(O)c1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is HCRPEPKPPKRFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-6-5-4(9-2-10-6)3(1-8-5)7(12)13/h1-2,8H,(H,12,13)(H,9,10,11).
What are the key properties of 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 179.13 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 135408952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).