2-amino-1,7-dihydropurin-6-one;hydrochloride

C5H6ClN5O — CID 135436483

IUPAC2-amino-1,7-dihydropurin-6-one;hydrochloride
SMILESCl.Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H
InChIKeyIBAOFQIOOBQLHE-UHFFFAOYSA-N
MW187.59 g/mol
LogP-0.35
Rot. Bonds

About 2-amino-1,7-dihydropurin-6-one;hydrochloride

2-amino-1,7-dihydropurin-6-one;hydrochloride (PubChem CID 135436483) has the molecular formula C5H6ClN5O and a molecular weight of 187.59 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one;hydrochloride
PubChem CID135436483
Molecular FormulaC5H6ClN5O
Molecular Weight187.59 g/mol
Exact Mass187.03
IUPAC Name2-amino-1,7-dihydropurin-6-one;hydrochloride
SMILESCl.Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H
InChIKeyIBAOFQIOOBQLHE-UHFFFAOYSA-N
XLogP-0.35
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one;hydrochloride?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one;hydrochloride (CID 135436483) is 2-amino-1,7-dihydropurin-6-one;hydrochloride.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one;hydrochloride?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one;hydrochloride is Cl.Nc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one;hydrochloride?
The InChIKey is IBAOFQIOOBQLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H.
What are the key properties of 2-amino-1,7-dihydropurin-6-one;hydrochloride?
2-amino-1,7-dihydropurin-6-one;hydrochloride has a molecular weight of 187.59 g/mol, XLogP of -0.35, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one;hydrochloride is sourced from PubChem (CID 135436483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).