6-aminopyrimidine-4-carboxylic acid;sulfuric acid

C5H7N3O6S — CID 138393811

IUPAC6-aminopyrimidine-4-carboxylic acid;sulfuric acid
SMILESNc1cc(C(=O)O)ncn1.O=S(=O)(O)O
InChIInChI=1S/C5H5N3O2.H2O4S/c6-4-1-3(5(9)10)7-2-8-4;1-5(2,3)4/h1-2H,(H,9,10)(H2,6,7,8);(H2,1,2,3,4)
InChIKeyJHIKEXMTIFRZQI-UHFFFAOYSA-N
MW237.19 g/mol
LogP-0.90
Rot. Bonds1

About 6-aminopyrimidine-4-carboxylic acid;sulfuric acid

6-aminopyrimidine-4-carboxylic acid;sulfuric acid (PubChem CID 138393811) has the molecular formula C5H7N3O6S and a molecular weight of 237.19 g/mol. Its IUPAC name is 6-aminopyrimidine-4-carboxylic acid;sulfuric acid.

Molecular Properties

Compound Name6-aminopyrimidine-4-carboxylic acid;sulfuric acid
PubChem CID138393811
Molecular FormulaC5H7N3O6S
Molecular Weight237.19 g/mol
Exact Mass237.01
IUPAC Name6-aminopyrimidine-4-carboxylic acid;sulfuric acid
SMILESNc1cc(C(=O)O)ncn1.O=S(=O)(O)O
InChIInChI=1S/C5H5N3O2.H2O4S/c6-4-1-3(5(9)10)7-2-8-4;1-5(2,3)4/h1-2H,(H,9,10)(H2,6,7,8);(H2,1,2,3,4)
InChIKeyJHIKEXMTIFRZQI-UHFFFAOYSA-N
XLogP-0.90
TPSA163.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-aminopyrimidine-4-carboxylic acid;sulfuric 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 6-aminopyrimidine-4-carboxylic acid;sulfuric acid?
The IUPAC name of 6-aminopyrimidine-4-carboxylic acid;sulfuric acid (CID 138393811) is 6-aminopyrimidine-4-carboxylic acid;sulfuric acid.
What is the SMILES notation for 6-aminopyrimidine-4-carboxylic acid;sulfuric acid?
The canonical SMILES for 6-aminopyrimidine-4-carboxylic acid;sulfuric acid is Nc1cc(C(=O)O)ncn1.O=S(=O)(O)O.
What is the InChIKey of 6-aminopyrimidine-4-carboxylic acid;sulfuric acid?
The InChIKey is JHIKEXMTIFRZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2.H2O4S/c6-4-1-3(5(9)10)7-2-8-4;1-5(2,3)4/h1-2H,(H,9,10)(H2,6,7,8);(H2,1,2,3,4).
What are the key properties of 6-aminopyrimidine-4-carboxylic acid;sulfuric acid?
6-aminopyrimidine-4-carboxylic acid;sulfuric acid has a molecular weight of 237.19 g/mol, XLogP of -0.90, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyrimidine-4-carboxylic acid;sulfuric acid is sourced from PubChem (CID 138393811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).