3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione

C16H25N5O2 — CID 56810324

IUPAC3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione
SMILESCC1CCCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C16H25N5O2/c1-12-7-4-5-8-20(12)9-6-10-21-15(22)13-14(17-11-18(13)2)19(3)16(21)23/h11-12H,4-10H2,1-3H3
InChIKeySKDWVLIFDJSHOA-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.70
Rot. Bonds4

About 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione

3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione (PubChem CID 56810324) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione
PubChem CID56810324
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione
SMILESCC1CCCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C16H25N5O2/c1-12-7-4-5-8-20(12)9-6-10-21-15(22)13-14(17-11-18(13)2)19(3)16(21)23/h11-12H,4-10H2,1-3H3
InChIKeySKDWVLIFDJSHOA-UHFFFAOYSA-N
XLogP0.70
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-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

1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420
1-[3-[3-(2-aminoethyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604418
3,7-dimethyl-1-[3-(oxiran-2-yl)propyl]purine-2,6-dione
CID 54391228
3,7-dimethyl-1-[9-(oxiran-2-yl)nonyl]purine-2,6-dione
CID 15885496
3,7-dimethyl-1-[16-(oxiran-2-yl)hexadecyl]purine-2,6-dione
CID 19098209
1-(7-bromoheptyl)-3,7-dimethylpurine-2,6-dione
CID 23313665
3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]purine-2,6-dione
CID 121279345
3,7-dimethyl-1-[4-(3-methyl-3H-1,2,4-triazol-5-yl)butyl]purine-2,6-dione
CID 134536487
1-(2-fluoroethyl)-3,7-dimethylpurine-2,6-dione
CID 141171430
1-(4,4-dideuterio-5,5-dihydroxyhexyl)-3,7-dimethylpurine-2,6-dione
CID 153085871
1-[2-(4-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione
CID 129099904
3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione
CID 95143078

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione?
The IUPAC name of 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione (CID 56810324) is 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione?
The canonical SMILES for 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione is CC1CCCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O.
What is the InChIKey of 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione?
The InChIKey is SKDWVLIFDJSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12-7-4-5-8-20(12)9-6-10-21-15(22)13-14(17-11-18(13)2)19(3)16(21)23/h11-12H,4-10H2,1-3H3.
What are the key properties of 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione?
3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione has a molecular weight of 319.41 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione is sourced from PubChem (CID 56810324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).