6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride

C7H10ClN5S2 — CID 54602340

IUPAC6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride
SMILESCSc1nc2nc(N)nc(SC)c2[nH]1.Cl
InChIInChI=1S/C7H9N5S2.ClH/c1-13-5-3-4(10-6(8)12-5)11-7(9-3)14-2;/h1-2H3,(H3,8,9,10,11,12);1H
InChIKeyPDIXZQAJQLTZQG-UHFFFAOYSA-N
MW263.78 g/mol
LogP1.80
Rot. Bonds2

About 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride

6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride (PubChem CID 54602340) has the molecular formula C7H10ClN5S2 and a molecular weight of 263.78 g/mol. Its IUPAC name is 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride.

Molecular Properties

Compound Name6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride
PubChem CID54602340
Molecular FormulaC7H10ClN5S2
Molecular Weight263.78 g/mol
Exact Mass263.01
IUPAC Name6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride
SMILESCSc1nc2nc(N)nc(SC)c2[nH]1.Cl
InChIInChI=1S/C7H9N5S2.ClH/c1-13-5-3-4(10-6(8)12-5)11-7(9-3)14-2;/h1-2H3,(H3,8,9,10,11,12);1H
InChIKeyPDIXZQAJQLTZQG-UHFFFAOYSA-N
XLogP1.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.78
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride 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

8-methylsulfanyl-7H-purin-6-amine
CID 935524
6-ethylsulfanyl-8-methylsulfanyl-7H-purine
CID 3760625
7-chloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
CID 84669145
7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
CID 84704317
6-tert-butyl-8-methylsulfanyl-7H-purine
CID 165348939
8-methylsulfanyl-7H-purine;7H-purin-8-amine
CID 159657386
2,4-diamino-6-methylsulfanylpyrimidine-5-carbonitrile
CID 16795548
8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane
CID 144791646
6-methoxy-8-methyl-7H-purin-2-amine
CID 82409699
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
6-ethoxy-7H-purine-2,8-diamine
CID 70356487
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 102927037

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride?
The IUPAC name of 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride (CID 54602340) is 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride.
What is the SMILES notation for 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride?
The canonical SMILES for 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride is CSc1nc2nc(N)nc(SC)c2[nH]1.Cl.
What is the InChIKey of 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride?
The InChIKey is PDIXZQAJQLTZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2.ClH/c1-13-5-3-4(10-6(8)12-5)11-7(9-3)14-2;/h1-2H3,(H3,8,9,10,11,12);1H.
What are the key properties of 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride?
6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride has a molecular weight of 263.78 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride is sourced from PubChem (CID 54602340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).