9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione

C13H19N5O2 — CID 135971554

IUPAC9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
SMILESCC(C)N1CCC(n2c(=O)[nH]c3c(=O)[nH]cnc32)CC1
InChIInChI=1S/C13H19N5O2/c1-8(2)17-5-3-9(4-6-17)18-11-10(16-13(18)20)12(19)15-7-14-11/h7-9H,3-6H2,1-2H3,(H,16,20)(H,14,15,19)
InChIKeyQSBBQGKFYWMLKP-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.46
Rot. Bonds2

About 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione

9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione (PubChem CID 135971554) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
PubChem CID135971554
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
SMILESCC(C)N1CCC(n2c(=O)[nH]c3c(=O)[nH]cnc32)CC1
InChIInChI=1S/C13H19N5O2/c1-8(2)17-5-3-9(4-6-17)18-11-10(16-13(18)20)12(19)15-7-14-11/h7-9H,3-6H2,1-2H3,(H,16,20)(H,14,15,19)
InChIKeyQSBBQGKFYWMLKP-UHFFFAOYSA-N
XLogP0.46
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione with MolForge

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Related Compounds

2-Amino-9-hexyl-1,7-dihydropurine-6,8-dione
CID 135415605
2-amino-9-hexyl-7-methyl-1H-purine-6,8-dione
CID 135415606
2-Amino-9-cyclohexyl-1,7-dihydropurine-6,8-dione
CID 155214717
N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136761451
7-Cyclohexyl-1,3,7-trimethyl-8-piperazin-1-ylpurin-7-ium-2,6-dione
CID 17950258
3,7-Dimethyl-7-[5-(methylamino)hexyl]purin-7-ium-2,6-dione
CID 54114422
7-[5-(Dimethylamino)hexyl]-3,7-dimethylpurin-7-ium-2,6-dione
CID 54272657
7-(5-Aminohexyl)-3,7-dimethylpurin-7-ium-2,6-dione
CID 54534836
9-Cyclopentyl-1-propyl-7,8-dihydropurin-6-one
CID 67194830
7-(7-Aminooctyl)-3,7-dimethylpurin-7-ium-2,6-dione
CID 88443451
4-(6,8-Dioxo-1,7-dihydropurin-9-yl)piperidine-1-carbaldehyde
CID 135733724
9-(1-Tert-butylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 136137284

Frequently Asked Questions

What is the IUPAC name of 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione?
The IUPAC name of 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione (CID 135971554) is 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione is CC(C)N1CCC(n2c(=O)[nH]c3c(=O)[nH]cnc32)CC1.
What is the InChIKey of 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione?
The InChIKey is QSBBQGKFYWMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)17-5-3-9(4-6-17)18-11-10(16-13(18)20)12(19)15-7-14-11/h7-9H,3-6H2,1-2H3,(H,16,20)(H,14,15,19).
What are the key properties of 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione?
9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione has a molecular weight of 277.33 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 135971554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).