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

C4H7ClN4O2 — CID 66759215

IUPAC2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride
SMILESNc1nc(O)c(N)c(=O)[nH]1.[Cl-].[H+]
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-4.24
Rot. Bonds

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

2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride (PubChem CID 66759215) 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;hydron;chloride.

Molecular Properties

Compound Name2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride
PubChem CID66759215
Molecular FormulaC4H7ClN4O2
Molecular Weight178.58 g/mol
Exact Mass178.03
IUPAC Name2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride
SMILESNc1nc(O)c(N)c(=O)[nH]1.[Cl-].[H+]
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-4.24
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 ≤ 5-4.24
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;hydron;chloride?
The IUPAC name of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride (CID 66759215) is 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride.
What is the SMILES notation for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride?
The canonical SMILES for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride is Nc1nc(O)c(N)c(=O)[nH]1.[Cl-].[H+].
What is the InChIKey of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride?
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;hydron;chloride?
2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;hydron;chloride has a molecular weight of 178.58 g/mol, XLogP of -4.24, 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;hydron;chloride is sourced from PubChem (CID 66759215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).