6-(4-methylpiperidin-1-yl)-7H-purin-2-amine

C11H16N6 — CID 44776716

IUPAC6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
SMILESCC1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C11H16N6/c1-7-2-4-17(5-3-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyICRIMNLHXAZCMR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.17
Rot. Bonds1

About 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine

6-(4-methylpiperidin-1-yl)-7H-purin-2-amine (PubChem CID 44776716) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
PubChem CID44776716
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
SMILESCC1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C11H16N6/c1-7-2-4-17(5-3-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyICRIMNLHXAZCMR-UHFFFAOYSA-N
XLogP1.17
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
6-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-7H-purin-2-amine
CID 72902832
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine
CID 46993251
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 137343874
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine (CID 44776716) is 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine is CC1CCN(c2nc(N)nc3nc[nH]c23)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine?
The InChIKey is ICRIMNLHXAZCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-2-4-17(5-3-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine?
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 44776716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).