5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione

C12H20N2O3 — CID 154133288

IUPAC5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)C1NC(=O)N(CC2CO2)C(=O)C1(C)C
InChIInChI=1S/C12H20N2O3/c1-7(2)9-12(3,4)10(15)14(11(16)13-9)5-8-6-17-8/h7-9H,5-6H2,1-4H3,(H,13,16)
InChIKeyOICUINPGXKOQGX-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.99
Rot. Bonds3

About 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione

5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 154133288) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione
PubChem CID154133288
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)C1NC(=O)N(CC2CO2)C(=O)C1(C)C
InChIInChI=1S/C12H20N2O3/c1-7(2)9-12(3,4)10(15)14(11(16)13-9)5-8-6-17-8/h7-9H,5-6H2,1-4H3,(H,13,16)
InChIKeyOICUINPGXKOQGX-UHFFFAOYSA-N
XLogP0.99
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol
CID 158725431
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 124881230
5-ethyl-5-methyl-1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 27204
3a-methyl-3,6-bis(oxiran-2-ylmethyl)-4,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 122582805
1-(oxiran-2-ylmethyl)-3,5-bis[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 22088527
1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511611
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83256292
5,5-dimethyl-1-(oxiran-2-ylmethyl)azepan-2-one
CID 65284040
3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 54162897
3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 130493104
(5S)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643587
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643575

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione (CID 154133288) is 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione is CC(C)C1NC(=O)N(CC2CO2)C(=O)C1(C)C.
What is the InChIKey of 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is OICUINPGXKOQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7(2)9-12(3,4)10(15)14(11(16)13-9)5-8-6-17-8/h7-9H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione?
5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 154133288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).