1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C13H22N2O3 — CID 112599235

IUPAC1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)CC(C)N1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-7(2)6-9(5)15-12(17)10(8(3)4)11(16)14-13(15)18/h7-10H,6H2,1-5H3,(H,14,16,18)
InChIKeyJEACJGWAXNRWIP-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.77
Rot. Bonds4

About 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 112599235) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID112599235
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)CC(C)N1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-7(2)6-9(5)15-12(17)10(8(3)4)11(16)14-13(15)18/h7-10H,6H2,1-5H3,(H,14,16,18)
InChIKeyJEACJGWAXNRWIP-UHFFFAOYSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.77
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-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112600366
1-(4-methylpentan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599238
1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115947632
1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599321
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948061
1-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115945917
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948114
N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide
CID 112599352
3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide
CID 112599705
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601050

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 112599235) is 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)CC(C)N1C(=O)NC(=O)C(C(C)C)C1=O.
What is the InChIKey of 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is JEACJGWAXNRWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-7(2)6-9(5)15-12(17)10(8(3)4)11(16)14-13(15)18/h7-10H,6H2,1-5H3,(H,14,16,18).
What are the key properties of 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 254.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112599235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).