3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione

C24H27N5O2 — CID 7137174

IUPAC3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione
SMILESC[C@H]1CCCCN1Cc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12
InChIInChI=1S/C24H27N5O2/c1-16-8-5-6-13-28(16)15-20-25-22-21(23(30)26-24(31)27(22)2)29(20)14-18-11-7-10-17-9-3-4-12-19(17)18/h3-4,7,9-12,16H,5-6,8,13-15H2,1-2H3,(H,26,30,31)/t16-/m0/s1
InChIKeyBHSDLSLVZAQNLU-INIZCTEOSA-N
MW417.51 g/mol
LogP3.00
Rot. Bonds4

About 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione

3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione (PubChem CID 7137174) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione
PubChem CID7137174
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione
SMILESC[C@H]1CCCCN1Cc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12
InChIInChI=1S/C24H27N5O2/c1-16-8-5-6-13-28(16)15-20-25-22-21(23(30)26-24(31)27(22)2)29(20)14-18-11-7-10-17-9-3-4-12-19(17)18/h3-4,7,9-12,16H,5-6,8,13-15H2,1-2H3,(H,26,30,31)/t16-/m0/s1
InChIKeyBHSDLSLVZAQNLU-INIZCTEOSA-N
XLogP3.00
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)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

8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 4894605
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
CID 5160964
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 4902750
7-[(2-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methylpurine-2,6-dione
CID 4898223
7-[(2-chlorophenyl)methyl]-8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-methylpurine-2,6-dione
CID 29054725
3-methyl-7-(naphthalen-1-ylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione
CID 16855788
8-(4-butanoylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 66491584
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-yl]methyl]purine-2,6-dione
CID 40622651
8-amino-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione;cyclohexanamine;ethane
CID 142220993
7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1089313
7-benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 679995
7-butyl-1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-yl]methyl]purine-2,6-dione
CID 7006328

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The IUPAC name of 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione (CID 7137174) is 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The canonical SMILES for 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione is C[C@H]1CCCCN1Cc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12.
What is the InChIKey of 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
The InChIKey is BHSDLSLVZAQNLU-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-8-5-6-13-28(16)15-20-25-22-21(23(30)26-24(31)27(22)2)29(20)14-18-11-7-10-17-9-3-4-12-19(17)18/h3-4,7,9-12,16H,5-6,8,13-15H2,1-2H3,(H,26,30,31)/t16-/m0/s1.
What are the key properties of 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione?
3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione has a molecular weight of 417.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 7137174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).