6-amino-2-methyl-7,9-dihydropurine-8-thione

C6H7N5S — CID 56688051

IUPAC6-amino-2-methyl-7,9-dihydropurine-8-thione
SMILESCc1nc(N)c2[nH]c(=S)[nH]c2n1
InChIInChI=1S/C6H7N5S/c1-2-8-4(7)3-5(9-2)11-6(12)10-3/h1H3,(H4,7,8,9,10,11,12)
InChIKeyUMZRTELMKNMZCD-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.91
Rot. Bonds

About 6-amino-2-methyl-7,9-dihydropurine-8-thione

6-amino-2-methyl-7,9-dihydropurine-8-thione (PubChem CID 56688051) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 6-amino-2-methyl-7,9-dihydropurine-8-thione.

Molecular Properties

Compound Name6-amino-2-methyl-7,9-dihydropurine-8-thione
PubChem CID56688051
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name6-amino-2-methyl-7,9-dihydropurine-8-thione
SMILESCc1nc(N)c2[nH]c(=S)[nH]c2n1
InChIInChI=1S/C6H7N5S/c1-2-8-4(7)3-5(9-2)11-6(12)10-3/h1H3,(H4,7,8,9,10,11,12)
InChIKeyUMZRTELMKNMZCD-UHFFFAOYSA-N
XLogP0.91
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-7,9-dihydro-8H-purine-8-thione
CID 5354970
2,6-Diamino-9H-purine-8-thiol
CID 5355144
Hydroxy methyladenine
CID 58757216
8-Mercapto-9-propyladenine
CID 102232826
6-Amino-2-methylsulfanyl-7,9-dihydropurine-8-thione
CID 130009677
2-Piperidino-8-mercaptoadenine
CID 5386112
5-Methyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
CID 241179
2-Methylpyrimidine-4,5,6-triamine
CID 13008750
2-Amino-6-methyl-7,9-dihydropurine-8-thione
CID 22172504
6-amino-2-methyl-7H-purin-9-ide-8-thione;carbanide;yttrium
CID 57816816
6-amino-7H-purin-9-ide-8-thione;yttrium
CID 58893075
6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium
CID 59649125

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-7,9-dihydropurine-8-thione?
The IUPAC name of 6-amino-2-methyl-7,9-dihydropurine-8-thione (CID 56688051) is 6-amino-2-methyl-7,9-dihydropurine-8-thione.
What is the SMILES notation for 6-amino-2-methyl-7,9-dihydropurine-8-thione?
The canonical SMILES for 6-amino-2-methyl-7,9-dihydropurine-8-thione is Cc1nc(N)c2[nH]c(=S)[nH]c2n1.
What is the InChIKey of 6-amino-2-methyl-7,9-dihydropurine-8-thione?
The InChIKey is UMZRTELMKNMZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-2-8-4(7)3-5(9-2)11-6(12)10-3/h1H3,(H4,7,8,9,10,11,12).
What are the key properties of 6-amino-2-methyl-7,9-dihydropurine-8-thione?
6-amino-2-methyl-7,9-dihydropurine-8-thione has a molecular weight of 181.22 g/mol, XLogP of 0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-7,9-dihydropurine-8-thione is sourced from PubChem (CID 56688051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).