1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione

C15H23N5O2 — CID 82463753

IUPAC1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
SMILESCCCn1c(C2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C15H23N5O2/c1-4-9-20-12(10-5-7-16-8-6-10)17-11-13(20)18(2)15(22)19(3)14(11)21/h10,16H,4-9H2,1-3H3
InChIKeyXIRPRTIXPQUQME-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.31
Rot. Bonds3

About 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione

1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione (PubChem CID 82463753) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
PubChem CID82463753
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
SMILESCCCn1c(C2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C15H23N5O2/c1-4-9-20-12(10-5-7-16-8-6-10)17-11-13(20)18(2)15(22)19(3)14(11)21/h10,16H,4-9H2,1-3H3
InChIKeyXIRPRTIXPQUQME-UHFFFAOYSA-N
XLogP0.31
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598
2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
CID 112707871
3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464497
1,3-dimethyl-8-(methylamino)-9-propylpurine-2,6-dione
CID 82463756
9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 82463704
1,3-dimethyl-2,6-dioxo-9-propylpurine-8-carboxylic acid
CID 82463758
9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463713
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
CID 82463751
8-amino-9-butyl-1,3-dimethylpurine-2,6-dione
CID 82463788
2-(8-cyclopentyl-2,6-dioxo-9-propylpurin-3-yl)acetaldehyde
CID 57137943
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione?
The IUPAC name of 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione (CID 82463753) is 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione is CCCn1c(C2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione?
The InChIKey is XIRPRTIXPQUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-9-20-12(10-5-7-16-8-6-10)17-11-13(20)18(2)15(22)19(3)14(11)21/h10,16H,4-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione?
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione is sourced from PubChem (CID 82463753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).