9-methylpurine-2,6-diamine

C6H8N6 — CID 22949012

IUPAC9-methylpurine-2,6-diamine
SMILESCn1cnc2c(N)nc(N)nc21
InChIInChI=1S/C6H8N6/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H4,7,8,10,11)
InChIKeyNMJOZGVQPPGGFV-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.47
Rot. Bonds

About 9-methylpurine-2,6-diamine

9-methylpurine-2,6-diamine (PubChem CID 22949012) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 9-methylpurine-2,6-diamine.

Molecular Properties

Compound Name9-methylpurine-2,6-diamine
PubChem CID22949012
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name9-methylpurine-2,6-diamine
SMILESCn1cnc2c(N)nc(N)nc21
InChIInChI=1S/C6H8N6/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H4,7,8,10,11)
InChIKeyNMJOZGVQPPGGFV-UHFFFAOYSA-N
XLogP-0.47
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methylpurine-2,6-diamine?
The IUPAC name of 9-methylpurine-2,6-diamine (CID 22949012) is 9-methylpurine-2,6-diamine.
What is the SMILES notation for 9-methylpurine-2,6-diamine?
The canonical SMILES for 9-methylpurine-2,6-diamine is Cn1cnc2c(N)nc(N)nc21.
What is the InChIKey of 9-methylpurine-2,6-diamine?
The InChIKey is NMJOZGVQPPGGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H4,7,8,10,11).
What are the key properties of 9-methylpurine-2,6-diamine?
9-methylpurine-2,6-diamine has a molecular weight of 164.17 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylpurine-2,6-diamine is sourced from PubChem (CID 22949012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).