2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione

C7H11N5S — CID 58738799

IUPAC2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione
SMILESCN1CN(C)c2c1[nH]c(N)nc2=S
InChIInChI=1S/C7H11N5S/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,13)
InChIKeyWROAXVGFSBVKPW-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.56
Rot. Bonds

About 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione

2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione (PubChem CID 58738799) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione.

Molecular Properties

Compound Name2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione
PubChem CID58738799
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC Name2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione
SMILESCN1CN(C)c2c1[nH]c(N)nc2=S
InChIInChI=1S/C7H11N5S/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,13)
InChIKeyWROAXVGFSBVKPW-UHFFFAOYSA-N
XLogP0.56
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-6-(dimethylamino)pyrimidine-4(1H)-thione
CID 12197809
3,7,8,9-Tetrahydropurine-6-thione
CID 24867573
2-amino-5-diazenyl-6-(dimethylamino)-1H-pyrimidine-4-thione
CID 136422084
2-Amino-8-methyl-3,7,8,9-tetrahydropurine-6-thione
CID 143435481
2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione
CID 163829996
9-Amino-7-methyl-3,8-dihydropurine-6-thione
CID 175171169
2-amino-9-butyl-7,8-dihydro-3H-purine-6-thione
CID 20980232
7,9-Dimethyl-3,8-dihydropurine-6-thione
CID 129928274

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione?
The IUPAC name of 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione (CID 58738799) is 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione.
What is the SMILES notation for 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione?
The canonical SMILES for 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione is CN1CN(C)c2c1[nH]c(N)nc2=S.
What is the InChIKey of 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione?
The InChIKey is WROAXVGFSBVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,13).
What are the key properties of 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione?
2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione has a molecular weight of 197.27 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,9-dimethyl-3,8-dihydropurine-6-thione is sourced from PubChem (CID 58738799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).