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

C4H7ClN4O2 — CID 2733980

IUPAC2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C4H6N4O2.ClH/c5-1-2(9)7-4(6)8-3(1)10;/h5H2,(H4,6,7,8,9,10);1H
InChIKeyIIVYOQGIZSPVFZ-UHFFFAOYSA-N
MW178.58 g/mol
LogP-0.94
Rot. Bonds

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

2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride (PubChem CID 2733980) has the molecular formula C4H7ClN4O2 and a molecular weight of 178.58 g/mol. Its IUPAC name is 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride
PubChem CID2733980
Molecular FormulaC4H7ClN4O2
Molecular Weight178.58 g/mol
Exact Mass178.03
IUPAC Name2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C4H6N4O2.ClH/c5-1-2(9)7-4(6)8-3(1)10;/h5H2,(H4,6,7,8,9,10);1H
InChIKeyIIVYOQGIZSPVFZ-UHFFFAOYSA-N
XLogP-0.94
TPSA118.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.58
LogP ≤ 5-0.94
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;hydrochloride?
The IUPAC name of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride (CID 2733980) is 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride is Cl.Nc1nc(O)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is IIVYOQGIZSPVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2.ClH/c5-1-2(9)7-4(6)8-3(1)10;/h5H2,(H4,6,7,8,9,10);1H.
What are the key properties of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride?
2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 178.58 g/mol, XLogP of -0.94, 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;hydrochloride is sourced from PubChem (CID 2733980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).