1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione

C15H23N5O2 — CID 82465740

IUPAC1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
SMILESCC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNCC1
InChIInChI=1S/C15H23N5O2/c1-9(2)12-17-13-11(14(21)19(4)15(22)18(13)3)20(12)10-5-7-16-8-6-10/h9-10,16H,5-8H2,1-4H3
InChIKeyVWCYWYOHRQGVFF-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.48
Rot. Bonds2

About 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione

1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione (PubChem CID 82465740) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
PubChem CID82465740
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
SMILESCC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNCC1
InChIInChI=1S/C15H23N5O2/c1-9(2)12-17-13-11(14(21)19(4)15(22)18(13)3)20(12)10-5-7-16-8-6-10/h9-10,16H,5-8H2,1-4H3
InChIKeyVWCYWYOHRQGVFF-UHFFFAOYSA-N
XLogP0.48
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465803
8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465771
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 706307
8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466184
7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione
CID 82465736
ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
CID 142910584
7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
CID 169081128
1,3-dimethyl-7-(3-methylbut-2-enyl)-8-piperidin-4-yloxypurine-2,6-dione
CID 73356668
3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464497
3-butan-2-yl-7-methyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466382
6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 54768601

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione (CID 82465740) is 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione is CC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNCC1.
What is the InChIKey of 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione?
The InChIKey is VWCYWYOHRQGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-9(2)12-17-13-11(14(21)19(4)15(22)18(13)3)20(12)10-5-7-16-8-6-10/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione?
1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82465740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).