2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine

C14H19N5O — CID 140539645

IUPAC2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine
SMILESNc1nc(CCC2CC3CCC(C2)O3)nc2nc[nH]c12
InChIInChI=1S/C14H19N5O/c15-13-12-14(17-7-16-12)19-11(18-13)4-1-8-5-9-2-3-10(6-8)20-9/h7-10H,1-6H2,(H3,15,16,17,18,19)
InChIKeyQJERQBGXYBMLSJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.83
Rot. Bonds3

About 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine

2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 140539645) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine
PubChem CID140539645
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine
SMILESNc1nc(CCC2CC3CCC(C2)O3)nc2nc[nH]c12
InChIInChI=1S/C14H19N5O/c15-13-12-14(17-7-16-12)19-11(18-13)4-1-8-5-9-2-3-10(6-8)20-9/h7-10H,1-6H2,(H3,15,16,17,18,19)
InChIKeyQJERQBGXYBMLSJ-UHFFFAOYSA-N
XLogP1.83
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine
CID 143581709
2-ethyl-7H-purin-6-amine
CID 19795383
2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine
CID 143940325
2-octyl-7H-purin-6-amine
CID 139890933
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
CID 19762005
2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine
CID 143940334
2-benzyl-7H-purin-6-amine
CID 15986830
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
CID 87990472
[(2S)-5-(6-amino-7H-purin-2-yl)oxolan-2-yl]methanol
CID 67674547
2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine
CID 141058722
4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521
2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
CID 20566205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine (CID 140539645) is 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine is Nc1nc(CCC2CC3CCC(C2)O3)nc2nc[nH]c12.
What is the InChIKey of 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is QJERQBGXYBMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-13-12-14(17-7-16-12)19-11(18-13)4-1-8-5-9-2-3-10(6-8)20-9/h7-10H,1-6H2,(H3,15,16,17,18,19).
What are the key properties of 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine?
2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 273.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 140539645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).