[6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine

C12H18N6 — CID 55090865

IUPAC[6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1c1ncnc2nc[nH]c12
InChIInChI=1S/C12H18N6/c1-8-2-3-9(4-13)5-18(8)12-10-11(15-6-14-10)16-7-17-12/h6-9H,2-5,13H2,1H3,(H,14,15,16,17)
InChIKeyUHNJTNYGDJOFSJ-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.92
Rot. Bonds2

About [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine

[6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine (PubChem CID 55090865) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine
PubChem CID55090865
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name[6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1c1ncnc2nc[nH]c12
InChIInChI=1S/C12H18N6/c1-8-2-3-9(4-13)5-18(8)12-10-11(15-6-14-10)16-7-17-12/h6-9H,2-5,13H2,1H3,(H,14,15,16,17)
InChIKeyUHNJTNYGDJOFSJ-UHFFFAOYSA-N
XLogP0.92
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162
5-amino-4-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136978294
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
[6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine
CID 62586363
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
CID 756697
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
(2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
CID 70769924
(6-methyl-1-pyrimidin-4-ylpiperidin-3-yl)methanamine
CID 62586721
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 55090578
[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine (CID 55090865) is [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine is CC1CCC(CN)CN1c1ncnc2nc[nH]c12.
What is the InChIKey of [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine?
The InChIKey is UHNJTNYGDJOFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8-2-3-9(4-13)5-18(8)12-10-11(15-6-14-10)16-7-17-12/h6-9H,2-5,13H2,1H3,(H,14,15,16,17).
What are the key properties of [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine?
[6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine has a molecular weight of 246.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 55090865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).