3-methyl-7-piperidin-4-ylpurine-2,6-dione

C11H15N5O2 — CID 82465471

IUPAC3-methyl-7-piperidin-4-ylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1ncn2C1CCNCC1
InChIInChI=1S/C11H15N5O2/c1-15-9-8(10(17)14-11(15)18)16(6-13-9)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H,14,17,18)
InChIKeyCZLICJFFZLVORN-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.65
Rot. Bonds1

About 3-methyl-7-piperidin-4-ylpurine-2,6-dione

3-methyl-7-piperidin-4-ylpurine-2,6-dione (PubChem CID 82465471) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methyl-7-piperidin-4-ylpurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-7-piperidin-4-ylpurine-2,6-dione
PubChem CID82465471
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-methyl-7-piperidin-4-ylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1ncn2C1CCNCC1
InChIInChI=1S/C11H15N5O2/c1-15-9-8(10(17)14-11(15)18)16(6-13-9)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H,14,17,18)
InChIKeyCZLICJFFZLVORN-UHFFFAOYSA-N
XLogP-0.65
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxypropyl)-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465656
3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 82466111
3,7-dimethylpurine-2,6-dione;oxovanadium(2+);sulfate
CID 87299220
3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
CID 82463934
3-butyl-7-(piperidin-4-ylmethyl)purine-2,6-dione
CID 82465638
sodium;3,7-dimethylpurine-2,6-dione;acetate
CID 23689356
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
7-cyclopropyl-3-methyl-1-propan-2-ylpurine-2,6-dione
CID 134381897
3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione
CID 154323875
3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
8-(2-azabicyclo[2.2.1]heptan-2-yl)-3,7-dimethylpurine-2,6-dione
CID 47370801
7-methyl-2-piperidin-4-yl-1H-purin-6-one
CID 136922648

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-piperidin-4-ylpurine-2,6-dione?
The IUPAC name of 3-methyl-7-piperidin-4-ylpurine-2,6-dione (CID 82465471) is 3-methyl-7-piperidin-4-ylpurine-2,6-dione.
What is the SMILES notation for 3-methyl-7-piperidin-4-ylpurine-2,6-dione?
The canonical SMILES for 3-methyl-7-piperidin-4-ylpurine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1ncn2C1CCNCC1.
What is the InChIKey of 3-methyl-7-piperidin-4-ylpurine-2,6-dione?
The InChIKey is CZLICJFFZLVORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-15-9-8(10(17)14-11(15)18)16(6-13-9)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H,14,17,18).
What are the key properties of 3-methyl-7-piperidin-4-ylpurine-2,6-dione?
3-methyl-7-piperidin-4-ylpurine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-piperidin-4-ylpurine-2,6-dione is sourced from PubChem (CID 82465471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).