7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione

C14H23N5O2 — CID 73328910

IUPAC7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
SMILESCCN1C(N2CCC(C)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H23N5O2/c1-4-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-7-5-9(2)6-8-18/h9-11H,4-8H2,1-3H3,(H,16,20,21)
InChIKeyZJFFARQGERRLSF-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.29
Rot. Bonds1

About 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione

7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione (PubChem CID 73328910) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
PubChem CID73328910
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
SMILESCCN1C(N2CCC(C)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H23N5O2/c1-4-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-7-5-9(2)6-8-18/h9-11H,4-8H2,1-3H3,(H,16,20,21)
InChIKeyZJFFARQGERRLSF-UHFFFAOYSA-N
XLogP0.29
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione with MolForge

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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-Dimethyl-7-(4-methylpentyl)-4,5-dihydropurine-2,6-dione
CID 20593838
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
CID 54760769
7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
CID 70129820
1,3-Dimethyl-7-(3-methylhept-5-ynyl)-4,5-dihydropurine-2,6-dione
CID 91467255
1,3-Dimethyl-7-(3-methylpentyl)-4,5-dihydropurine-2,6-dione
CID 91531086
5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690148
1,3-Dimethyl-7-(4-methylpentyl)-4,5-dihydropurine-2,6-dione;1-methyl-2-propan-2-ylpiperidine
CID 162053274
1-azido-3-methylbutane;1,3-dimethyl-5,7-dihydro-4H-purine-2,6-dione
CID 164060970

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione (CID 73328910) is 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione is CCN1C(N2CCC(C)CC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The InChIKey is ZJFFARQGERRLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-7-5-9(2)6-8-18/h9-11H,4-8H2,1-3H3,(H,16,20,21).
What are the key properties of 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73328910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).