1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione

C9H15N3O3 — CID 112598154

IUPAC1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione
SMILESCC(CN(C)C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c1-6(5-11(2)3)12-8(14)4-7(13)10-9(12)15/h6H,4-5H2,1-3H3,(H,10,13,15)
InChIKeyUFSHIGMOLFAYBD-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.60
Rot. Bonds3

About 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione

1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione (PubChem CID 112598154) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione
PubChem CID112598154
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione
SMILESCC(CN(C)C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c1-6(5-11(2)3)12-8(14)4-7(13)10-9(12)15/h6H,4-5H2,1-3H3,(H,10,13,15)
InChIKeyUFSHIGMOLFAYBD-UHFFFAOYSA-N
XLogP-0.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
CID 112597783
1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione
CID 23616251
1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 112597865
3-[1-(dimethylamino)propan-2-yl]-2-methylimidazolidin-4-one
CID 83260354
1-[4-[methyl(propan-2-yl)amino]butyl]-1,3-diazinane-2,4,6-trione
CID 112597893
2-(2,4,6-trioxo-1,3-diazinan-1-yl)pentanedioic acid
CID 144538559
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 113387614
1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 70627664
1-(1-thiophen-2-ylbutyl)-1,3-diazinane-2,4,6-trione
CID 112597914
1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 20502785
1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione
CID 112597993
1-(2,2-dimethylpropyl)-1,3-diazinane-2,4,6-trione
CID 112597813

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione (CID 112598154) is 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione is CC(CN(C)C)N1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione?
The InChIKey is UFSHIGMOLFAYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(5-11(2)3)12-8(14)4-7(13)10-9(12)15/h6H,4-5H2,1-3H3,(H,10,13,15).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione?
1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione has a molecular weight of 213.24 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).