2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride

C4H9ClN4O3 — CID 45358500

IUPAC2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride
SMILESCl.Nc1nc(O)c(N)c(=O)[nH]1.O
InChIInChI=1S/C4H6N4O2.ClH.H2O/c5-1-2(9)7-4(6)8-3(1)10;;/h5H2,(H4,6,7,8,9,10);1H;1H2
InChIKeyWNMOLDIYHAYRNV-UHFFFAOYSA-N
MW196.59 g/mol
LogP-1.76
Rot. Bonds

About 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride

2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride (PubChem CID 45358500) has the molecular formula C4H9ClN4O3 and a molecular weight of 196.59 g/mol. Its IUPAC name is 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride.

Molecular Properties

Compound Name2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride
PubChem CID45358500
Molecular FormulaC4H9ClN4O3
Molecular Weight196.59 g/mol
Exact Mass196.04
IUPAC Name2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride
SMILESCl.Nc1nc(O)c(N)c(=O)[nH]1.O
InChIInChI=1S/C4H6N4O2.ClH.H2O/c5-1-2(9)7-4(6)8-3(1)10;;/h5H2,(H4,6,7,8,9,10);1H;1H2
InChIKeyWNMOLDIYHAYRNV-UHFFFAOYSA-N
XLogP-1.76
TPSA149.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride?
The IUPAC name of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride (CID 45358500) is 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride.
What is the SMILES notation for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride?
The canonical SMILES for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride is Cl.Nc1nc(O)c(N)c(=O)[nH]1.O.
What is the InChIKey of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride?
The InChIKey is WNMOLDIYHAYRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2.ClH.H2O/c5-1-2(9)7-4(6)8-3(1)10;;/h5H2,(H4,6,7,8,9,10);1H;1H2.
What are the key properties of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride?
2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride has a molecular weight of 196.59 g/mol, XLogP of -1.76, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrate;hydrochloride is sourced from PubChem (CID 45358500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).