3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione

C15H23N5O2 — CID 16812242

IUPAC3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione
SMILESCCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H23N5O2/c1-4-7-20-11-12(18(3)15(22)17-13(11)21)16-14(20)19-8-5-10(2)6-9-19/h10H,4-9H2,1-3H3,(H,17,21,22)
InChIKeyCGGBAWTWXKTSGZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.07
Rot. Bonds3

About 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione

3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione (PubChem CID 16812242) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione
PubChem CID16812242
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione
SMILESCCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H23N5O2/c1-4-7-20-11-12(18(3)15(22)17-13(11)21)16-14(20)19-8-5-10(2)6-9-19/h10H,4-9H2,1-3H3,(H,17,21,22)
InChIKeyCGGBAWTWXKTSGZ-UHFFFAOYSA-N
XLogP1.07
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione with MolForge

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Related Compounds

7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1089313
7-[(2S)-2,3-dihydroxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 40692587
3-methyl-8-(3-methylpiperidin-1-yl)-7-pentylpurine-2,6-dione
CID 3996426
7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 40692634
8-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-hexyl-3-methylpurine-2,6-dione
CID 7023479
3-methyl-7-pentyl-8-piperazin-4-ium-1-ylpurine-2,6-dione
CID 6999623
7-ethyl-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione
CID 16812237
3-methyl-7-(3-methylbutyl)-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 931742
8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-propylpurine-2,6-dione
CID 6485071
8-(4-ethylpiperazin-1-yl)-7-heptyl-3-methylpurine-2,6-dione
CID 3795266
3-methyl-8-morpholin-4-yl-7-nonylpurine-2,6-dione
CID 3065137
8-(4-acetylpiperazin-1-yl)-7-hexyl-3-methylpurine-2,6-dione
CID 66491456

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione?
The IUPAC name of 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione (CID 16812242) is 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione.
What is the SMILES notation for 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione?
The canonical SMILES for 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione is CCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione?
The InChIKey is CGGBAWTWXKTSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-7-20-11-12(18(3)15(22)17-13(11)21)16-14(20)19-8-5-10(2)6-9-19/h10H,4-9H2,1-3H3,(H,17,21,22).
What are the key properties of 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione?
3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione is sourced from PubChem (CID 16812242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).