2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol

C20H24N6O — CID 51049523

IUPAC2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol
SMILESCC(C)N1CNc2c(Nc3ccc4ccccc4c3)nc(NCCO)nc21
InChIInChI=1S/C20H24N6O/c1-13(2)26-12-22-17-18(24-20(21-9-10-27)25-19(17)26)23-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,22,27H,9-10,12H2,1-2H3,(H2,21,23,24,25)
InChIKeyJSORDYUBOMUIJI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.38
Rot. Bonds6

About 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol

2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol (PubChem CID 51049523) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol
PubChem CID51049523
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol
SMILESCC(C)N1CNc2c(Nc3ccc4ccccc4c3)nc(NCCO)nc21
InChIInChI=1S/C20H24N6O/c1-13(2)26-12-22-17-18(24-20(21-9-10-27)25-19(17)26)23-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,22,27H,9-10,12H2,1-2H3,(H2,21,23,24,25)
InChIKeyJSORDYUBOMUIJI-UHFFFAOYSA-N
XLogP3.38
TPSA85.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol?
The IUPAC name of 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol (CID 51049523) is 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol is CC(C)N1CNc2c(Nc3ccc4ccccc4c3)nc(NCCO)nc21.
What is the InChIKey of 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol?
The InChIKey is JSORDYUBOMUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(2)26-12-22-17-18(24-20(21-9-10-27)25-19(17)26)23-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,22,27H,9-10,12H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol?
2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol has a molecular weight of 364.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(naphthalen-2-ylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol is sourced from PubChem (CID 51049523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).