2-N,2-N,9-trimethylpurine-2,6-diamine

C8H12N6 — CID 66791926

IUPAC2-N,2-N,9-trimethylpurine-2,6-diamine
SMILESCN(C)c1nc(N)c2ncn(C)c2n1
InChIInChI=1S/C8H12N6/c1-13(2)8-11-6(9)5-7(12-8)14(3)4-10-5/h4H,1-3H3,(H2,9,11,12)
InChIKeyOOMBLDUAKHCRHO-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.01
Rot. Bonds1

About 2-N,2-N,9-trimethylpurine-2,6-diamine

2-N,2-N,9-trimethylpurine-2,6-diamine (PubChem CID 66791926) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-N,2-N,9-trimethylpurine-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,9-trimethylpurine-2,6-diamine
PubChem CID66791926
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-N,2-N,9-trimethylpurine-2,6-diamine
SMILESCN(C)c1nc(N)c2ncn(C)c2n1
InChIInChI=1S/C8H12N6/c1-13(2)8-11-6(9)5-7(12-8)14(3)4-10-5/h4H,1-3H3,(H2,9,11,12)
InChIKeyOOMBLDUAKHCRHO-UHFFFAOYSA-N
XLogP0.01
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,9-trimethylpurine-2,6-diamine?
The IUPAC name of 2-N,2-N,9-trimethylpurine-2,6-diamine (CID 66791926) is 2-N,2-N,9-trimethylpurine-2,6-diamine.
What is the SMILES notation for 2-N,2-N,9-trimethylpurine-2,6-diamine?
The canonical SMILES for 2-N,2-N,9-trimethylpurine-2,6-diamine is CN(C)c1nc(N)c2ncn(C)c2n1.
What is the InChIKey of 2-N,2-N,9-trimethylpurine-2,6-diamine?
The InChIKey is OOMBLDUAKHCRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-13(2)8-11-6(9)5-7(12-8)14(3)4-10-5/h4H,1-3H3,(H2,9,11,12).
What are the key properties of 2-N,2-N,9-trimethylpurine-2,6-diamine?
2-N,2-N,9-trimethylpurine-2,6-diamine has a molecular weight of 192.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,9-trimethylpurine-2,6-diamine is sourced from PubChem (CID 66791926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).