2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol

C12H20N6O — CID 114784127

IUPAC2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C12H20N6O/c1-3-5-18(6-7-19)11-9-10(15-8-14-9)16-12(17-11)13-4-2/h8,19H,3-7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyMHVBOPDBVCUPIT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.99
Rot. Bonds7

About 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol

2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol (PubChem CID 114784127) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol
PubChem CID114784127
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C12H20N6O/c1-3-5-18(6-7-19)11-9-10(15-8-14-9)16-12(17-11)13-4-2/h8,19H,3-7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyMHVBOPDBVCUPIT-UHFFFAOYSA-N
XLogP0.99
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol?
The IUPAC name of 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol (CID 114784127) is 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol is CCCN(CCO)c1nc(NCC)nc2nc[nH]c12.
What is the InChIKey of 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol?
The InChIKey is MHVBOPDBVCUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-3-5-18(6-7-19)11-9-10(15-8-14-9)16-12(17-11)13-4-2/h8,19H,3-7H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol?
2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol has a molecular weight of 264.33 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-7H-purin-6-yl]-propylamino]ethanol is sourced from PubChem (CID 114784127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).