9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine

C13H20N6O — CID 2814988

IUPAC9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine
SMILESCC1CN(CCn2cnc3c(N)ncnc32)CC(C)O1
InChIInChI=1S/C13H20N6O/c1-9-5-18(6-10(2)20-9)3-4-19-8-17-11-12(14)15-7-16-13(11)19/h7-10H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyGKVDMQKSEFKMGT-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.52
Rot. Bonds3

About 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine

9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine (PubChem CID 2814988) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine
PubChem CID2814988
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine
SMILESCC1CN(CCn2cnc3c(N)ncnc32)CC(C)O1
InChIInChI=1S/C13H20N6O/c1-9-5-18(6-10(2)20-9)3-4-19-8-17-11-12(14)15-7-16-13(11)19/h7-10H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyGKVDMQKSEFKMGT-UHFFFAOYSA-N
XLogP0.52
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine (CID 2814988) is 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine is CC1CN(CCn2cnc3c(N)ncnc32)CC(C)O1.
What is the InChIKey of 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine?
The InChIKey is GKVDMQKSEFKMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-5-18(6-10(2)20-9)3-4-19-8-17-11-12(14)15-7-16-13(11)19/h7-10H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine?
9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine has a molecular weight of 276.34 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,6-dimethylmorpholin-4-yl)ethyl]purin-6-amine is sourced from PubChem (CID 2814988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).