8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione

C13H19N5O2 — CID 82464302

IUPAC8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione
SMILESCn1c(CN)nc2c1c(=O)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C13H19N5O2/c1-17-9(7-14)15-11-10(17)12(19)16-13(20)18(11)8-5-3-2-4-6-8/h8H,2-7,14H2,1H3,(H,16,19,20)
InChIKeyMYOWDGMPTYPMBE-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.39
Rot. Bonds2

About 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione

8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione (PubChem CID 82464302) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione
PubChem CID82464302
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione
SMILESCn1c(CN)nc2c1c(=O)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C13H19N5O2/c1-17-9(7-14)15-11-10(17)12(19)16-13(20)18(11)8-5-3-2-4-6-8/h8H,2-7,14H2,1H3,(H,16,19,20)
InChIKeyMYOWDGMPTYPMBE-UHFFFAOYSA-N
XLogP0.39
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione 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

8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione
CID 129249128
3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione
CID 82464295
8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
CID 82465215
8-chloro-3-cyclohexyl-7H-purine-2,6-dione
CID 70146367
3-cyclohexyl-8-(methylaminomethyl)-7H-purine-2,6-dione
CID 82465179
3,7-dimethyl-8-(2-methylpropyl)purine-2,6-dione
CID 70556316
3,7-dimethyl-8-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]purine-2,6-dione
CID 95048544
3-butyl-8-[(3-hydroxypiperidin-1-yl)methyl]-7-methylpurine-2,6-dione
CID 110879697
8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione
CID 154864923
3-cyclohexyl-8-(3-hydroxypropylamino)-7H-purine-2,6-dione
CID 82465183
1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135493430
8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
CID 82463842

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione?
The IUPAC name of 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione (CID 82464302) is 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione?
The canonical SMILES for 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione is Cn1c(CN)nc2c1c(=O)[nH]c(=O)n2C1CCCCC1.
What is the InChIKey of 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione?
The InChIKey is MYOWDGMPTYPMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17-9(7-14)15-11-10(17)12(19)16-13(20)18(11)8-5-3-2-4-6-8/h8H,2-7,14H2,1H3,(H,16,19,20).
What are the key properties of 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione?
8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione has a molecular weight of 277.33 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 82464302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).