9-(2-morpholin-4-ylethyl)purin-6-amine

C11H16N6O — CID 916394

IUPAC9-(2-morpholin-4-ylethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2CCN1CCOCC1
InChIInChI=1S/C11H16N6O/c12-10-9-11(14-7-13-10)17(8-15-9)2-1-16-3-5-18-6-4-16/h7-8H,1-6H2,(H2,12,13,14)
InChIKeyQMOJHLZCNSIFHC-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.26
Rot. Bonds3

About 9-(2-morpholin-4-ylethyl)purin-6-amine

9-(2-morpholin-4-ylethyl)purin-6-amine (PubChem CID 916394) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 9-(2-morpholin-4-ylethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-morpholin-4-ylethyl)purin-6-amine
PubChem CID916394
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name9-(2-morpholin-4-ylethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2CCN1CCOCC1
InChIInChI=1S/C11H16N6O/c12-10-9-11(14-7-13-10)17(8-15-9)2-1-16-3-5-18-6-4-16/h7-8H,1-6H2,(H2,12,13,14)
InChIKeyQMOJHLZCNSIFHC-UHFFFAOYSA-N
XLogP-0.26
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-(2-morpholin-4-ylethyl)purin-6-amine?
The IUPAC name of 9-(2-morpholin-4-ylethyl)purin-6-amine (CID 916394) is 9-(2-morpholin-4-ylethyl)purin-6-amine.
What is the SMILES notation for 9-(2-morpholin-4-ylethyl)purin-6-amine?
The canonical SMILES for 9-(2-morpholin-4-ylethyl)purin-6-amine is Nc1ncnc2c1ncn2CCN1CCOCC1.
What is the InChIKey of 9-(2-morpholin-4-ylethyl)purin-6-amine?
The InChIKey is QMOJHLZCNSIFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-10-9-11(14-7-13-10)17(8-15-9)2-1-16-3-5-18-6-4-16/h7-8H,1-6H2,(H2,12,13,14).
What are the key properties of 9-(2-morpholin-4-ylethyl)purin-6-amine?
9-(2-morpholin-4-ylethyl)purin-6-amine has a molecular weight of 248.29 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-morpholin-4-ylethyl)purin-6-amine is sourced from PubChem (CID 916394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).