2,4-diamino-1H-pyrimidin-6-one;sulfuric acid

C4H8N4O5S — CID 135455591

IUPAC2,4-diamino-1H-pyrimidin-6-one;sulfuric acid
SMILESNc1cc(=O)[nH]c(N)n1.O=S(=O)(O)O
InChIInChI=1S/C4H6N4O.H2O4S/c5-2-1-3(9)8-4(6)7-2;1-5(2,3)4/h1H,(H5,5,6,7,8,9);(H2,1,2,3,4)
InChIKeySLSWVEQLCOSOTJ-UHFFFAOYSA-N
MW224.20 g/mol
LogP-1.72
Rot. Bonds

About 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid

2,4-diamino-1H-pyrimidin-6-one;sulfuric acid (PubChem CID 135455591) has the molecular formula C4H8N4O5S and a molecular weight of 224.20 g/mol. Its IUPAC name is 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid.

Molecular Properties

Compound Name2,4-diamino-1H-pyrimidin-6-one;sulfuric acid
PubChem CID135455591
Molecular FormulaC4H8N4O5S
Molecular Weight224.20 g/mol
Exact Mass224.02
IUPAC Name2,4-diamino-1H-pyrimidin-6-one;sulfuric acid
SMILESNc1cc(=O)[nH]c(N)n1.O=S(=O)(O)O
InChIInChI=1S/C4H6N4O.H2O4S/c5-2-1-3(9)8-4(6)7-2;1-5(2,3)4/h1H,(H5,5,6,7,8,9);(H2,1,2,3,4)
InChIKeySLSWVEQLCOSOTJ-UHFFFAOYSA-N
XLogP-1.72
TPSA172.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid?
The IUPAC name of 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid (CID 135455591) is 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid.
What is the SMILES notation for 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid?
The canonical SMILES for 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid is Nc1cc(=O)[nH]c(N)n1.O=S(=O)(O)O.
What is the InChIKey of 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid?
The InChIKey is SLSWVEQLCOSOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.H2O4S/c5-2-1-3(9)8-4(6)7-2;1-5(2,3)4/h1H,(H5,5,6,7,8,9);(H2,1,2,3,4).
What are the key properties of 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid?
2,4-diamino-1H-pyrimidin-6-one;sulfuric acid has a molecular weight of 224.20 g/mol, XLogP of -1.72, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1H-pyrimidin-6-one;sulfuric acid is sourced from PubChem (CID 135455591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).