8-N,8-N-dimethyl-7H-purine-6,8-diamine

C7H10N6 — CID 776561

IUPAC8-N,8-N-dimethyl-7H-purine-6,8-diamine
SMILESCN(C)c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C7H10N6/c1-13(2)7-11-4-5(8)9-3-10-6(4)12-7/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyIJLZPLBXRPFQHT-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.00
Rot. Bonds1

About 8-N,8-N-dimethyl-7H-purine-6,8-diamine

8-N,8-N-dimethyl-7H-purine-6,8-diamine (PubChem CID 776561) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 8-N,8-N-dimethyl-7H-purine-6,8-diamine.

Molecular Properties

Compound Name8-N,8-N-dimethyl-7H-purine-6,8-diamine
PubChem CID776561
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name8-N,8-N-dimethyl-7H-purine-6,8-diamine
SMILESCN(C)c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C7H10N6/c1-13(2)7-11-4-5(8)9-3-10-6(4)12-7/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyIJLZPLBXRPFQHT-UHFFFAOYSA-N
XLogP0.00
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N,8-N-dimethyl-7H-purine-6,8-diamine?
The IUPAC name of 8-N,8-N-dimethyl-7H-purine-6,8-diamine (CID 776561) is 8-N,8-N-dimethyl-7H-purine-6,8-diamine.
What is the SMILES notation for 8-N,8-N-dimethyl-7H-purine-6,8-diamine?
The canonical SMILES for 8-N,8-N-dimethyl-7H-purine-6,8-diamine is CN(C)c1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-N,8-N-dimethyl-7H-purine-6,8-diamine?
The InChIKey is IJLZPLBXRPFQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-13(2)7-11-4-5(8)9-3-10-6(4)12-7/h3H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 8-N,8-N-dimethyl-7H-purine-6,8-diamine?
8-N,8-N-dimethyl-7H-purine-6,8-diamine has a molecular weight of 178.20 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N-dimethyl-7H-purine-6,8-diamine is sourced from PubChem (CID 776561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).