6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine

C12H15N5O2 — CID 80721385

IUPAC6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine
SMILESCOc1ncnc2c1nc(N)n2C1CC2CCC1O2
InChIInChI=1S/C12H15N5O2/c1-18-11-9-10(14-5-15-11)17(12(13)16-9)7-4-6-2-3-8(7)19-6/h5-8H,2-4H2,1H3,(H2,13,16)
InChIKeyKEBNWTNGBYBVDN-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.91
Rot. Bonds2

About 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine

6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine (PubChem CID 80721385) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine.

Molecular Properties

Compound Name6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine
PubChem CID80721385
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine
SMILESCOc1ncnc2c1nc(N)n2C1CC2CCC1O2
InChIInChI=1S/C12H15N5O2/c1-18-11-9-10(14-5-15-11)17(12(13)16-9)7-4-6-2-3-8(7)19-6/h5-8H,2-4H2,1H3,(H2,13,16)
InChIKeyKEBNWTNGBYBVDN-UHFFFAOYSA-N
XLogP0.91
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(chloromethyl)-6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purine
CID 80715712
6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)-7H-purine-8-thione
CID 80719424
5,6-dichloro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720938
6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine
CID 106326325
9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
CID 107601316
6-methoxy-9-octylpurin-8-amine
CID 115569133
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
8-(2-chloroethyl)-9-(2-ethylcyclopropyl)-6-methoxypurine
CID 114109136
2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine
CID 80719474
9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine
CID 106760245
6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
CID 107645395
9-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypurin-8-amine
CID 106036150

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine?
The IUPAC name of 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine (CID 80721385) is 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine.
What is the SMILES notation for 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine?
The canonical SMILES for 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine is COc1ncnc2c1nc(N)n2C1CC2CCC1O2.
What is the InChIKey of 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine?
The InChIKey is KEBNWTNGBYBVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-18-11-9-10(14-5-15-11)17(12(13)16-9)7-4-6-2-3-8(7)19-6/h5-8H,2-4H2,1H3,(H2,13,16).
What are the key properties of 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine?
6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine has a molecular weight of 261.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine is sourced from PubChem (CID 80721385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).