2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione

C6H9N5S — CID 143435481

IUPAC2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione
SMILESCC1Nc2[nH]c(N)nc(=S)c2N1
InChIInChI=1S/C6H9N5S/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h2,8H,1H3,(H4,7,9,10,11,12)
InChIKeyVEVQSGZDDACGSH-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.90
Rot. Bonds

About 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione

2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione (PubChem CID 143435481) has the molecular formula C6H9N5S and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione.

Molecular Properties

Compound Name2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione
PubChem CID143435481
Molecular FormulaC6H9N5S
Molecular Weight183.24 g/mol
Exact Mass183.06
IUPAC Name2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione
SMILESCC1Nc2[nH]c(N)nc(=S)c2N1
InChIInChI=1S/C6H9N5S/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h2,8H,1H3,(H4,7,9,10,11,12)
InChIKeyVEVQSGZDDACGSH-UHFFFAOYSA-N
XLogP0.90
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-4-isopropylamino-6-mercaptopyrimidine
CID 13481192
5-amino-6-(diethylamino)-1H-pyrimidine-4-thione
CID 20085332
3,7,8,9-Tetrahydropurine-6-thione
CID 24867573
6,7,8,9-tetrahydro-3H-purine
CID 57306527
6,7,8,9-tetrahydro-3H-purin-6-amine
CID 89493556
4,7,8,9-tetrahydro-1H-purine-6-thiol
CID 90120155
2,3,4,7-tetrahydro-1H-purine-6-thiol
CID 90120156
2-amino-9-butyl-7,8-dihydro-3H-purine-6-thione
CID 20980232
3,6,7,9-Tetrahydropurine-8-thione
CID 54495717
2-Amino-7,9-dimethyl-3,8-dihydropurine-6-thione
CID 58738799
7,9-Dimethyl-3,8-dihydropurine-6-thione
CID 129928274
2,5-diamino-6-(butylamino)-1H-pyrimidine-4-thione
CID 130009881

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione?
The IUPAC name of 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione (CID 143435481) is 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione.
What is the SMILES notation for 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione?
The canonical SMILES for 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione is CC1Nc2[nH]c(N)nc(=S)c2N1.
What is the InChIKey of 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione?
The InChIKey is VEVQSGZDDACGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5S/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h2,8H,1H3,(H4,7,9,10,11,12).
What are the key properties of 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione?
2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione has a molecular weight of 183.24 g/mol, XLogP of 0.90, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione is sourced from PubChem (CID 143435481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).