6,8-dimethyl-7H-purin-2-amine

C7H9N5 — CID 66980693

IUPAC6,8-dimethyl-7H-purin-2-amine
SMILESCc1nc2nc(N)nc(C)c2[nH]1
InChIInChI=1S/C7H9N5/c1-3-5-6(11-4(2)10-5)12-7(8)9-3/h1-2H3,(H3,8,9,10,11,12)
InChIKeyIFYGWFWUIHORQS-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.55
Rot. Bonds

About 6,8-dimethyl-7H-purin-2-amine

6,8-dimethyl-7H-purin-2-amine (PubChem CID 66980693) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6,8-dimethyl-7H-purin-2-amine.

Molecular Properties

Compound Name6,8-dimethyl-7H-purin-2-amine
PubChem CID66980693
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name6,8-dimethyl-7H-purin-2-amine
SMILESCc1nc2nc(N)nc(C)c2[nH]1
InChIInChI=1S/C7H9N5/c1-3-5-6(11-4(2)10-5)12-7(8)9-3/h1-2H3,(H3,8,9,10,11,12)
InChIKeyIFYGWFWUIHORQS-UHFFFAOYSA-N
XLogP0.55
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-7H-purin-2-amine?
The IUPAC name of 6,8-dimethyl-7H-purin-2-amine (CID 66980693) is 6,8-dimethyl-7H-purin-2-amine.
What is the SMILES notation for 6,8-dimethyl-7H-purin-2-amine?
The canonical SMILES for 6,8-dimethyl-7H-purin-2-amine is Cc1nc2nc(N)nc(C)c2[nH]1.
What is the InChIKey of 6,8-dimethyl-7H-purin-2-amine?
The InChIKey is IFYGWFWUIHORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-3-5-6(11-4(2)10-5)12-7(8)9-3/h1-2H3,(H3,8,9,10,11,12).
What are the key properties of 6,8-dimethyl-7H-purin-2-amine?
6,8-dimethyl-7H-purin-2-amine has a molecular weight of 163.18 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-7H-purin-2-amine is sourced from PubChem (CID 66980693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).