6-(azocan-1-yl)-N-methyl-7H-purin-2-amine

C13H20N6 — CID 114783608

IUPAC6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCCCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-14-13-17-11-10(15-9-16-11)12(18-13)19-7-5-3-2-4-6-8-19/h9H,2-8H2,1H3,(H2,14,15,16,17,18)
InChIKeyLIAPQNREABUVMQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.17
Rot. Bonds2

About 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine

6-(azocan-1-yl)-N-methyl-7H-purin-2-amine (PubChem CID 114783608) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
PubChem CID114783608
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCCCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-14-13-17-11-10(15-9-16-11)12(18-13)19-7-5-3-2-4-6-8-19/h9H,2-8H2,1H3,(H2,14,15,16,17,18)
InChIKeyLIAPQNREABUVMQ-UHFFFAOYSA-N
XLogP2.17
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
CID 114783973
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
CID 114785647
3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
2-[[6-(azepan-1-yl)-7H-purin-2-yl]amino]butan-1-ol
CID 152715190
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
CID 114785462
1-[4-[4-[(6-piperidin-1-yl-7H-purin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 174686616
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-7H-purin-2-amine
CID 114783590
2-[2-(methylamino)-7H-purin-6-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114786070
[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
CID 102939050
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
CID 114784987
6-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-7H-purine
CID 75460800

Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine (CID 114783608) is 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine is CNc1nc(N2CCCCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine?
The InChIKey is LIAPQNREABUVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-14-13-17-11-10(15-9-16-11)12(18-13)19-7-5-3-2-4-6-8-19/h9H,2-8H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine?
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114783608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).