1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione

C13H20N2O3 — CID 114112529

IUPAC1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C(C)(C)C2CC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-4-5-9-10(16)14-12(18)15(11(9)17)13(2,3)8-6-7-8/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyZDBCVEOSRDGLOO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione

1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 114112529) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID114112529
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C(C)(C)C2CC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-4-5-9-10(16)14-12(18)15(11(9)17)13(2,3)8-6-7-8/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyZDBCVEOSRDGLOO-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599238
1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599308
1-(4-bromophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112598679
1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948158
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 112601053
1-(1-methylpyrrolidin-3-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112600076
1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948017
1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948827
1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948943
1-(1-methylsulfonylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112600923
1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945885
5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
CID 106236626

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 114112529) is 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(C(C)(C)C2CC2)C1=O.
What is the InChIKey of 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZDBCVEOSRDGLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-5-9-10(16)14-12(18)15(11(9)17)13(2,3)8-6-7-8/h8-9H,4-7H2,1-3H3,(H,14,16,18).
What are the key properties of 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 252.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114112529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).