6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine

C14H20N6 — CID 114785462

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCCC3CCCC32)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6/c1-15-14-18-12-11(16-8-17-12)13(19-14)20-7-3-5-9-4-2-6-10(9)20/h8-10H,2-7H2,1H3,(H2,15,16,17,18,19)
InChIKeyQZRNIGGTXMGVLF-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.16
Rot. Bonds2

About 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine (PubChem CID 114785462) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
PubChem CID114785462
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCCC3CCCC32)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6/c1-15-14-18-12-11(16-8-17-12)13(19-14)20-7-3-5-9-4-2-6-10(9)20/h8-10H,2-7H2,1H3,(H2,15,16,17,18,19)
InChIKeyQZRNIGGTXMGVLF-UHFFFAOYSA-N
XLogP2.16
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine (CID 114785462) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine is CNc1nc(N2CCCC3CCCC32)c2[nH]cnc2n1.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine?
The InChIKey is QZRNIGGTXMGVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-15-14-18-12-11(16-8-17-12)13(19-14)20-7-3-5-9-4-2-6-10(9)20/h8-10H,2-7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114785462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).