1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione

C12H17N5O2 — CID 24846510

IUPAC1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]c(C3CCCNC3)nc2n(C)c1=O
InChIInChI=1S/C12H17N5O2/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-4-3-5-13-6-7/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyKNDRPZBPQHHAPT-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.57
Rot. Bonds1

About 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione

1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione (PubChem CID 24846510) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione
PubChem CID24846510
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]c(C3CCCNC3)nc2n(C)c1=O
InChIInChI=1S/C12H17N5O2/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-4-3-5-13-6-7/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyKNDRPZBPQHHAPT-UHFFFAOYSA-N
XLogP-0.57
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-cyclopentylsulfonylpiperidin-4-yl)-1,3-dimethyl-7H-purine-2,6-dione
CID 91948340
1,3-dimethyl-8-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)acetyl]piperidin-3-yl]-7H-purine-2,6-dione
CID 91948195
8-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 91948279
1,3-dimethyl-8-[1-(oxolane-2-carbonyl)piperidin-3-yl]-7H-purine-2,6-dione
CID 91948277
tert-butyl N-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)cyclohexyl]carbamate
CID 66723971
8-(1-butylsulfonylpiperidin-4-yl)-1,3-dimethyl-7H-purine-2,6-dione
CID 91948374
3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91948260
1,3-dimethyl-8-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-7H-purine-2,6-dione
CID 91948252
1,3-dimethyl-8-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-7H-purine-2,6-dione
CID 91948288
1,3-dimethyl-8-[1-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-7H-purine-2,6-dione
CID 91948205
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
CID 82463934

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione (CID 24846510) is 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione is Cn1c(=O)c2[nH]c(C3CCCNC3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione?
The InChIKey is KNDRPZBPQHHAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-4-3-5-13-6-7/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione?
1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione has a molecular weight of 263.30 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-piperidin-3-yl-7H-purine-2,6-dione is sourced from PubChem (CID 24846510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).