5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione

C13H22N2O3 — CID 27360

IUPAC5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-7-8-9-15-11(17)13(5-2,6-3)10(16)14-12(15)18/h4-9H2,1-3H3,(H,14,16,18)
InChIKeyZFAYOFSMNONQIN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.06
Rot. Bonds6

About 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione (PubChem CID 27360) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione
PubChem CID27360
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-7-8-9-15-11(17)13(5-2,6-3)10(16)14-12(15)18/h4-9H2,1-3H3,(H,14,16,18)
InChIKeyZFAYOFSMNONQIN-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Barbital
CID 2294
Metharbital
CID 4099
5,5-Diethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12847
Barbituric acid,5(1mebu)-5-ET-1-ME
CID 42472
Barbituric acid, 1,5-dimethyl-5-(1-methylbutyl)-
CID 48457
5,5-Diethyldihydropyrimidine-2,4(1h,3h)-dione
CID 239592
1,3-Bis(3,3-dimethylbutyl)-1,3-diazinane-2,4,6-trione
CID 49805735
Barbituric acid, 1-allyl-5,5-diethyl-
CID 24186
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-
CID 545007
Barbituric acid, 5-ethyl-5-(1-ethylpropyl)-1-methyl-
CID 48734
5-(Butan-2-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
CID 49178
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(methoxymethyl)-3-methyl-
CID 206225

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione (CID 27360) is 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione is CCCCCN1C(=O)NC(=O)C(CC)(CC)C1=O.
What is the InChIKey of 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZFAYOFSMNONQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-7-8-9-15-11(17)13(5-2,6-3)10(16)14-12(15)18/h4-9H2,1-3H3,(H,14,16,18).
What are the key properties of 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione has a molecular weight of 254.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 27360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).