9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine

C9H14N6 — CID 86046952

IUPAC9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine
SMILESCCn1cnc2c(N(C)C)nc(N)nc21
InChIInChI=1S/C9H14N6/c1-4-15-5-11-6-7(14(2)3)12-9(10)13-8(6)15/h5H,4H2,1-3H3,(H2,10,12,13)
InChIKeyLGULIWBPMDGAGW-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.49
Rot. Bonds2

About 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine

9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine (PubChem CID 86046952) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine.

Molecular Properties

Compound Name9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine
PubChem CID86046952
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine
SMILESCCn1cnc2c(N(C)C)nc(N)nc21
InChIInChI=1S/C9H14N6/c1-4-15-5-11-6-7(14(2)3)12-9(10)13-8(6)15/h5H,4H2,1-3H3,(H2,10,12,13)
InChIKeyLGULIWBPMDGAGW-UHFFFAOYSA-N
XLogP0.49
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine?
The IUPAC name of 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine (CID 86046952) is 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine.
What is the SMILES notation for 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine?
The canonical SMILES for 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine is CCn1cnc2c(N(C)C)nc(N)nc21.
What is the InChIKey of 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine?
The InChIKey is LGULIWBPMDGAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-4-15-5-11-6-7(14(2)3)12-9(10)13-8(6)15/h5H,4H2,1-3H3,(H2,10,12,13).
What are the key properties of 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine?
9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine is sourced from PubChem (CID 86046952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).