2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol

C17H19N5O — CID 18788993

IUPAC2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
SMILESOCC(Nc1ncnc2nc[nH]c12)C1CCc2ccccc2C1
InChIInChI=1S/C17H19N5O/c23-8-14(13-6-5-11-3-1-2-4-12(11)7-13)22-17-15-16(19-9-18-15)20-10-21-17/h1-4,9-10,13-14,23H,5-8H2,(H2,18,19,20,21,22)
InChIKeyDKPDPVDMHMUFGU-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.93
Rot. Bonds4

About 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol

2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 18788993) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
PubChem CID18788993
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
SMILESOCC(Nc1ncnc2nc[nH]c12)C1CCc2ccccc2C1
InChIInChI=1S/C17H19N5O/c23-8-14(13-6-5-11-3-1-2-4-12(11)7-13)22-17-15-16(19-9-18-15)20-10-21-17/h1-4,9-10,13-14,23H,5-8H2,(H2,18,19,20,21,22)
InChIKeyDKPDPVDMHMUFGU-UHFFFAOYSA-N
XLogP1.93
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol (CID 18788993) is 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol is OCC(Nc1ncnc2nc[nH]c12)C1CCc2ccccc2C1.
What is the InChIKey of 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is DKPDPVDMHMUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-8-14(13-6-5-11-3-1-2-4-12(11)7-13)22-17-15-16(19-9-18-15)20-10-21-17/h1-4,9-10,13-14,23H,5-8H2,(H2,18,19,20,21,22).
What are the key properties of 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 309.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 18788993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).