2-amino-7-hydroxy-1H-purin-6-one;hydrobromide

C5H6BrN5O2 — CID 135666783

IUPAC2-amino-7-hydroxy-1H-purin-6-one;hydrobromide
SMILESBr.Nc1nc2ncn(O)c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O2.BrH/c6-5-8-3-2(4(11)9-5)10(12)1-7-3;/h1,12H,(H3,6,8,9,11);1H
InChIKeyMJIMOVVIDSYJEB-UHFFFAOYSA-N
MW248.04 g/mol
LogP-0.48
Rot. Bonds

About 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide

2-amino-7-hydroxy-1H-purin-6-one;hydrobromide (PubChem CID 135666783) has the molecular formula C5H6BrN5O2 and a molecular weight of 248.04 g/mol. Its IUPAC name is 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide.

Molecular Properties

Compound Name2-amino-7-hydroxy-1H-purin-6-one;hydrobromide
PubChem CID135666783
Molecular FormulaC5H6BrN5O2
Molecular Weight248.04 g/mol
Exact Mass246.97
IUPAC Name2-amino-7-hydroxy-1H-purin-6-one;hydrobromide
SMILESBr.Nc1nc2ncn(O)c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O2.BrH/c6-5-8-3-2(4(11)9-5)10(12)1-7-3;/h1,12H,(H3,6,8,9,11);1H
InChIKeyMJIMOVVIDSYJEB-UHFFFAOYSA-N
XLogP-0.48
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide?
The IUPAC name of 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide (CID 135666783) is 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide.
What is the SMILES notation for 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide?
The canonical SMILES for 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide is Br.Nc1nc2ncn(O)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide?
The InChIKey is MJIMOVVIDSYJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2.BrH/c6-5-8-3-2(4(11)9-5)10(12)1-7-3;/h1,12H,(H3,6,8,9,11);1H.
What are the key properties of 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide?
2-amino-7-hydroxy-1H-purin-6-one;hydrobromide has a molecular weight of 248.04 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-hydroxy-1H-purin-6-one;hydrobromide is sourced from PubChem (CID 135666783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).