2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one

C11H8ClN5OS — CID 135540455

IUPAC2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one
SMILESNc1nc2nc(Sc3ccc(Cl)cc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H8ClN5OS/c12-5-1-3-6(4-2-5)19-11-14-7-8(16-11)15-10(13)17-9(7)18/h1-4H,(H4,13,14,15,16,17,18)
InChIKeyQAZXVDQDWHZKFR-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.03
Rot. Bonds2

About 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one

2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one (PubChem CID 135540455) has the molecular formula C11H8ClN5OS and a molecular weight of 293.74 g/mol. Its IUPAC name is 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one
PubChem CID135540455
Molecular FormulaC11H8ClN5OS
Molecular Weight293.74 g/mol
Exact Mass293.01
IUPAC Name2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one
SMILESNc1nc2nc(Sc3ccc(Cl)cc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H8ClN5OS/c12-5-1-3-6(4-2-5)19-11-14-7-8(16-11)15-10(13)17-9(7)18/h1-4H,(H4,13,14,15,16,17,18)
InChIKeyQAZXVDQDWHZKFR-UHFFFAOYSA-N
XLogP2.03
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

(2-amino-6-oxo-1,7-dihydropurin-8-yl) thiocyanate
CID 135742599
6-amino-2-(4-chlorophenyl)sulfanyl-3H-quinazolin-4-one
CID 136809598
4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanylmethyl]benzonitrile
CID 135468747
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide
CID 137225021
2-amino-8-[(2-nitrophenyl)methylsulfanyl]-1,7-dihydropurin-6-one
CID 137224982
2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one
CID 135566684
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 135464811
2-amino-8-[2-(2-oxopyrrolidin-1-yl)ethylsulfanyl]-1,7-dihydropurin-6-one
CID 137225019
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 135461607
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N'-[[(Z)-1-phenyl-2-sulfanylethenyl]amino]acetohydrazide
CID 143047229
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
(5R)-2-amino-5-(4-chlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135622784

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one (CID 135540455) is 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one is Nc1nc2nc(Sc3ccc(Cl)cc3)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one?
The InChIKey is QAZXVDQDWHZKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5OS/c12-5-1-3-6(4-2-5)19-11-14-7-8(16-11)15-10(13)17-9(7)18/h1-4H,(H4,13,14,15,16,17,18).
What are the key properties of 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one?
2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one has a molecular weight of 293.74 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one is sourced from PubChem (CID 135540455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).