7,8-dimethylpurine-2,6-diamine

C7H10N6 — CID 122515075

IUPAC7,8-dimethylpurine-2,6-diamine
SMILESCc1nc2nc(N)nc(N)c2n1C
InChIInChI=1S/C7H10N6/c1-3-10-6-4(13(3)2)5(8)11-7(9)12-6/h1-2H3,(H4,8,9,11,12)
InChIKeyUHWCUMBAWRSLLE-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.16
Rot. Bonds

About 7,8-dimethylpurine-2,6-diamine

7,8-dimethylpurine-2,6-diamine (PubChem CID 122515075) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 7,8-dimethylpurine-2,6-diamine.

Molecular Properties

Compound Name7,8-dimethylpurine-2,6-diamine
PubChem CID122515075
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name7,8-dimethylpurine-2,6-diamine
SMILESCc1nc2nc(N)nc(N)c2n1C
InChIInChI=1S/C7H10N6/c1-3-10-6-4(13(3)2)5(8)11-7(9)12-6/h1-2H3,(H4,8,9,11,12)
InChIKeyUHWCUMBAWRSLLE-UHFFFAOYSA-N
XLogP-0.16
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylpurine-2,6-diamine?
The IUPAC name of 7,8-dimethylpurine-2,6-diamine (CID 122515075) is 7,8-dimethylpurine-2,6-diamine.
What is the SMILES notation for 7,8-dimethylpurine-2,6-diamine?
The canonical SMILES for 7,8-dimethylpurine-2,6-diamine is Cc1nc2nc(N)nc(N)c2n1C.
What is the InChIKey of 7,8-dimethylpurine-2,6-diamine?
The InChIKey is UHWCUMBAWRSLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-3-10-6-4(13(3)2)5(8)11-7(9)12-6/h1-2H3,(H4,8,9,11,12).
What are the key properties of 7,8-dimethylpurine-2,6-diamine?
7,8-dimethylpurine-2,6-diamine has a molecular weight of 178.20 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylpurine-2,6-diamine is sourced from PubChem (CID 122515075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).