3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione

C11H15N5O2 — CID 82463934

IUPAC3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(C3CCNCC3)nc21
InChIInChI=1S/C11H15N5O2/c1-16-9-7(10(17)15-11(16)18)13-8(14-9)6-2-4-12-5-3-6/h6,12H,2-5H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyAUBGZZGRMNPLJF-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.58
Rot. Bonds1

About 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione

3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione (PubChem CID 82463934) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
PubChem CID82463934
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(C3CCNCC3)nc21
InChIInChI=1S/C11H15N5O2/c1-16-9-7(10(17)15-11(16)18)13-8(14-9)6-2-4-12-5-3-6/h6,12H,2-5H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyAUBGZZGRMNPLJF-UHFFFAOYSA-N
XLogP-0.58
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 82466111
8-piperidin-4-yl-3,7-dihydropurine-2,6-dione
CID 114402296
3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-7H-purine-2,6-dione
CID 3103863
2-methyl-5-piperidin-4-yl-4H-1,2,4-triazol-3-one
CID 136966014
3-methyl-8-methylsulfanyl-7H-purine-2,6-dione
CID 130009999
1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione
CID 24846510
3-methyl-7-piperidin-4-ylpurine-2,6-dione
CID 82465471
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
methyl 4-(8-cyclopentyl-2,6-dioxo-7H-purin-3-yl)butanoate
CID 174295382
7-methyl-2-piperidin-4-yl-1H-purin-6-one
CID 136922648
1-methyl-2,4,6-trioxo-5H-pteridine-7-carboxylic acid
CID 23422189
3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione
CID 840608

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione?
The IUPAC name of 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione (CID 82463934) is 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione.
What is the SMILES notation for 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione?
The canonical SMILES for 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2[nH]c(C3CCNCC3)nc21.
What is the InChIKey of 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione?
The InChIKey is AUBGZZGRMNPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16-9-7(10(17)15-11(16)18)13-8(14-9)6-2-4-12-5-3-6/h6,12H,2-5H2,1H3,(H,13,14)(H,15,17,18).
What are the key properties of 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione?
3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione is sourced from PubChem (CID 82463934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).