6,9-dimethylpurin-2-amine

C7H9N5 — CID 11400958

IUPAC6,9-dimethylpurin-2-amine
SMILESCc1nc(N)nc2c1ncn2C
InChIInChI=1S/C7H9N5/c1-4-5-6(11-7(8)10-4)12(2)3-9-5/h3H,1-2H3,(H2,8,10,11)
InChIKeyAMLXEVMUBUHMFW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.25
Rot. Bonds

About 6,9-dimethylpurin-2-amine

6,9-dimethylpurin-2-amine (PubChem CID 11400958) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6,9-dimethylpurin-2-amine.

Molecular Properties

Compound Name6,9-dimethylpurin-2-amine
PubChem CID11400958
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name6,9-dimethylpurin-2-amine
SMILESCc1nc(N)nc2c1ncn2C
InChIInChI=1S/C7H9N5/c1-4-5-6(11-7(8)10-4)12(2)3-9-5/h3H,1-2H3,(H2,8,10,11)
InChIKeyAMLXEVMUBUHMFW-UHFFFAOYSA-N
XLogP0.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethylpurin-2-amine?
The IUPAC name of 6,9-dimethylpurin-2-amine (CID 11400958) is 6,9-dimethylpurin-2-amine.
What is the SMILES notation for 6,9-dimethylpurin-2-amine?
The canonical SMILES for 6,9-dimethylpurin-2-amine is Cc1nc(N)nc2c1ncn2C.
What is the InChIKey of 6,9-dimethylpurin-2-amine?
The InChIKey is AMLXEVMUBUHMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-4-5-6(11-7(8)10-4)12(2)3-9-5/h3H,1-2H3,(H2,8,10,11).
What are the key properties of 6,9-dimethylpurin-2-amine?
6,9-dimethylpurin-2-amine has a molecular weight of 163.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethylpurin-2-amine is sourced from PubChem (CID 11400958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).