N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine

C12H16N6 — CID 61233310

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
SMILESc1nc(NC2CC3CCC(C2)N3)c2[nH]cnc2n1
InChIInChI=1S/C12H16N6/c1-2-8-4-9(3-7(1)17-8)18-12-10-11(14-5-13-10)15-6-16-12/h5-9,17H,1-4H2,(H2,13,14,15,16,18)
InChIKeyRNGMRSLZJZCNJD-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.05
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine (PubChem CID 61233310) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
PubChem CID61233310
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
SMILESc1nc(NC2CC3CCC(C2)N3)c2[nH]cnc2n1
InChIInChI=1S/C12H16N6/c1-2-8-4-9(3-7(1)17-8)18-12-10-11(14-5-13-10)15-6-16-12/h5-9,17H,1-4H2,(H2,13,14,15,16,18)
InChIKeyRNGMRSLZJZCNJD-UHFFFAOYSA-N
XLogP1.05
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine (CID 61233310) is N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine is c1nc(NC2CC3CCC(C2)N3)c2[nH]cnc2n1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine?
The InChIKey is RNGMRSLZJZCNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-8-4-9(3-7(1)17-8)18-12-10-11(14-5-13-10)15-6-16-12/h5-9,17H,1-4H2,(H2,13,14,15,16,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine has a molecular weight of 244.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 61233310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).