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

C4H9N5O4S — CID 159585944

IUPACsulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.O=S(O)O
InChIInChI=1S/C4H7N5O.H2O3S/c5-1-2(6)8-4(7)9-3(1)10;1-4(2)3/h5H2,(H5,6,7,8,9,10);(H2,1,2,3)
InChIKeyMJPPSGBQVVHNFA-UHFFFAOYSA-N
MW223.21 g/mol
LogP-1.80
Rot. Bonds

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

sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one (PubChem CID 159585944) has the molecular formula C4H9N5O4S and a molecular weight of 223.21 g/mol. Its IUPAC name is sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one.

Molecular Properties

Compound Namesulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one
PubChem CID159585944
Molecular FormulaC4H9N5O4S
Molecular Weight223.21 g/mol
Exact Mass223.04
IUPAC Namesulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.O=S(O)O
InChIInChI=1S/C4H7N5O.H2O3S/c5-1-2(6)8-4(7)9-3(1)10;1-4(2)3/h5H2,(H5,6,7,8,9,10);(H2,1,2,3)
InChIKeyMJPPSGBQVVHNFA-UHFFFAOYSA-N
XLogP-1.80
TPSA181.34 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.21
LogP ≤ 5-1.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 155776253
sulfurous acid;triazine-4,5,6-triamine
CID 69383519
4,5-diamino-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135741941
2,5-diamino-4-methoxy-1H-pyrimidin-6-one
CID 118167344
2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
CID 137221313
2,4-diamino-5-(3-methylbut-2-enyl)-1H-pyrimidin-6-one
CID 135420445
2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one
CID 154521709
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
5,6-diamino-(4,5-13C2)1H-pyrimidine-2,4-dione;hydrogen sulfite
CID 71315896
2,4-diamino-1H-imidazole-5-carboxylic acid
CID 67941525
2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135850741
2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135493668

Frequently Asked Questions

What is the IUPAC name of sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one?
The IUPAC name of sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one (CID 159585944) is sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one.
What is the SMILES notation for sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one?
The canonical SMILES for sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one is Nc1nc(N)c(N)c(=O)[nH]1.O=S(O)O.
What is the InChIKey of sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one?
The InChIKey is MJPPSGBQVVHNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.H2O3S/c5-1-2(6)8-4(7)9-3(1)10;1-4(2)3/h5H2,(H5,6,7,8,9,10);(H2,1,2,3).
What are the key properties of sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one?
sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one has a molecular weight of 223.21 g/mol, XLogP of -1.80, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one is sourced from PubChem (CID 159585944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).