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

C4H9N5OS — CID 174870530

IUPACsulfane;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.S
InChIInChI=1S/C4H7N5O.H2S/c5-1-2(6)8-4(7)9-3(1)10;/h5H2,(H5,6,7,8,9,10);1H2
InChIKeyLCDAJKUXZMDYLU-UHFFFAOYSA-N
MW175.22 g/mol
LogP-1.37
Rot. Bonds

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

sulfane;2,4,5-triamino-1H-pyrimidin-6-one (PubChem CID 174870530) has the molecular formula C4H9N5OS and a molecular weight of 175.22 g/mol. Its IUPAC name is sulfane;2,4,5-triamino-1H-pyrimidin-6-one.

Molecular Properties

Compound Namesulfane;2,4,5-triamino-1H-pyrimidin-6-one
PubChem CID174870530
Molecular FormulaC4H9N5OS
Molecular Weight175.22 g/mol
Exact Mass175.05
IUPAC Namesulfane;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.S
InChIInChI=1S/C4H7N5O.H2S/c5-1-2(6)8-4(7)9-3(1)10;/h5H2,(H5,6,7,8,9,10);1H2
InChIKeyLCDAJKUXZMDYLU-UHFFFAOYSA-N
XLogP-1.37
TPSA123.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sulfane;2,4,5-triamino-1H-pyrimidin-6-one?
The IUPAC name of sulfane;2,4,5-triamino-1H-pyrimidin-6-one (CID 174870530) is sulfane;2,4,5-triamino-1H-pyrimidin-6-one.
What is the SMILES notation for sulfane;2,4,5-triamino-1H-pyrimidin-6-one?
The canonical SMILES for sulfane;2,4,5-triamino-1H-pyrimidin-6-one is Nc1nc(N)c(N)c(=O)[nH]1.S.
What is the InChIKey of sulfane;2,4,5-triamino-1H-pyrimidin-6-one?
The InChIKey is LCDAJKUXZMDYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.H2S/c5-1-2(6)8-4(7)9-3(1)10;/h5H2,(H5,6,7,8,9,10);1H2.
What are the key properties of sulfane;2,4,5-triamino-1H-pyrimidin-6-one?
sulfane;2,4,5-triamino-1H-pyrimidin-6-one has a molecular weight of 175.22 g/mol, XLogP of -1.37, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;2,4,5-triamino-1H-pyrimidin-6-one is sourced from PubChem (CID 174870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).