3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione

C12H19N5O2 — CID 78202431

IUPAC3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)NC(=O)C2C1N=C(N1CCCCC1)N2C
InChIInChI=1S/C12H19N5O2/c1-15-8-9(16(2)12(19)14-10(8)18)13-11(15)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,14,18,19)
InChIKeyRLWIEEDWHHIALA-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.35
Rot. Bonds

About 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione

3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78202431) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
PubChem CID78202431
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)NC(=O)C2C1N=C(N1CCCCC1)N2C
InChIInChI=1S/C12H19N5O2/c1-15-8-9(16(2)12(19)14-10(8)18)13-11(15)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,14,18,19)
InChIKeyRLWIEEDWHHIALA-UHFFFAOYSA-N
XLogP-0.35
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
8-[4-(2,2-Difluoroethyl)piperazin-1-yl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 133569139
1,3,9-trimethyl-6,7,8,9,10,11a-hexahydro-4aH-purino[7,8-a][1,3]diazepine-2,4-dione
CID 357305
3-ethyl-5,7-dihydro-4H-purine-2,6-dione
CID 15346966
3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 45272369
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
CID 54760769
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide
CID 59121523
1,3-Dimethyl-7-[3-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)-2-oxopropyl]-4,5-dihydropurine-2,6-dione
CID 68047887
7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
CID 70129820
7-Butyl-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 71121075

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione (CID 78202431) is 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione is CN1C(=O)NC(=O)C2C1N=C(N1CCCCC1)N2C.
What is the InChIKey of 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is RLWIEEDWHHIALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-15-8-9(16(2)12(19)14-10(8)18)13-11(15)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,14,18,19).
What are the key properties of 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78202431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).