2-amino-1H-pyrimidin-6-one;sulfuric acid

C4H7N3O5S — CID 159702792

IUPAC2-amino-1H-pyrimidin-6-one;sulfuric acid
SMILESNc1nccc(=O)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C4H5N3O.H2O4S/c5-4-6-2-1-3(8)7-4;1-5(2,3)4/h1-2H,(H3,5,6,7,8);(H2,1,2,3,4)
InChIKeyMXVLHPMOCMFBSG-UHFFFAOYSA-N
MW209.18 g/mol
LogP-1.30
Rot. Bonds

About 2-amino-1H-pyrimidin-6-one;sulfuric acid

2-amino-1H-pyrimidin-6-one;sulfuric acid (PubChem CID 159702792) has the molecular formula C4H7N3O5S and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-amino-1H-pyrimidin-6-one;sulfuric acid.

Molecular Properties

Compound Name2-amino-1H-pyrimidin-6-one;sulfuric acid
PubChem CID159702792
Molecular FormulaC4H7N3O5S
Molecular Weight209.18 g/mol
Exact Mass209.01
IUPAC Name2-amino-1H-pyrimidin-6-one;sulfuric acid
SMILESNc1nccc(=O)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C4H5N3O.H2O4S/c5-4-6-2-1-3(8)7-4;1-5(2,3)4/h1-2H,(H3,5,6,7,8);(H2,1,2,3,4)
InChIKeyMXVLHPMOCMFBSG-UHFFFAOYSA-N
XLogP-1.30
TPSA146.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-amino-1H-pyrimidin-6-one;sulfuric acid?
The IUPAC name of 2-amino-1H-pyrimidin-6-one;sulfuric acid (CID 159702792) is 2-amino-1H-pyrimidin-6-one;sulfuric acid.
What is the SMILES notation for 2-amino-1H-pyrimidin-6-one;sulfuric acid?
The canonical SMILES for 2-amino-1H-pyrimidin-6-one;sulfuric acid is Nc1nccc(=O)[nH]1.O=S(=O)(O)O.
What is the InChIKey of 2-amino-1H-pyrimidin-6-one;sulfuric acid?
The InChIKey is MXVLHPMOCMFBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.H2O4S/c5-4-6-2-1-3(8)7-4;1-5(2,3)4/h1-2H,(H3,5,6,7,8);(H2,1,2,3,4).
What are the key properties of 2-amino-1H-pyrimidin-6-one;sulfuric acid?
2-amino-1H-pyrimidin-6-one;sulfuric acid has a molecular weight of 209.18 g/mol, XLogP of -1.30, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-pyrimidin-6-one;sulfuric acid is sourced from PubChem (CID 159702792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).