2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride

C12H12ClN5O2 — CID 136934360

IUPAC2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
SMILESCl.Nc1nc2nc(OCc3ccccc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C12H11N5O2.ClH/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,13,14,15,16,17,18);1H
InChIKeyLLTRRTMBMZATPK-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.23
Rot. Bonds3

About 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride

2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride (PubChem CID 136934360) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride.

Molecular Properties

Compound Name2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
PubChem CID136934360
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC Name2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
SMILESCl.Nc1nc2nc(OCc3ccccc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C12H11N5O2.ClH/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,13,14,15,16,17,18);1H
InChIKeyLLTRRTMBMZATPK-UHFFFAOYSA-N
XLogP1.23
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride?
The IUPAC name of 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride (CID 136934360) is 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride.
What is the SMILES notation for 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride?
The canonical SMILES for 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride is Cl.Nc1nc2nc(OCc3ccccc3)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride?
The InChIKey is LLTRRTMBMZATPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2.ClH/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,13,14,15,16,17,18);1H.
What are the key properties of 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride?
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride has a molecular weight of 293.71 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride is sourced from PubChem (CID 136934360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).