sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one

C4H9N5O5S — CID 135443549

IUPACsulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)
InChIKeyRSKNEEODWFLVFF-UHFFFAOYSA-N
MW239.21 g/mol
LogP-2.14
Rot. Bonds

About sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one

sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one (PubChem CID 135443549) has the molecular formula C4H9N5O5S and a molecular weight of 239.21 g/mol. Its IUPAC name is sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one.

Molecular Properties

Compound Namesulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one
PubChem CID135443549
Molecular FormulaC4H9N5O5S
Molecular Weight239.21 g/mol
Exact Mass239.03
IUPAC Namesulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)
InChIKeyRSKNEEODWFLVFF-UHFFFAOYSA-N
XLogP-2.14
TPSA198.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.21
LogP ≤ 5-2.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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 sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one?
The IUPAC name of sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one (CID 135443549) is sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one.
What is the SMILES notation for sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one?
The canonical SMILES for sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one is Nc1nc(N)c(N)c(=O)[nH]1.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one?
The InChIKey is RSKNEEODWFLVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4).
What are the key properties of sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one?
sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one has a molecular weight of 239.21 g/mol, XLogP of -2.14, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one is sourced from PubChem (CID 135443549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).