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

C15H18N2O3 — CID 115945885

IUPAC1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C15H18N2O3/c1-4-5-12-13(18)16-15(20)17(14(12)19)11-7-6-9(2)10(3)8-11/h6-8,12H,4-5H2,1-3H3,(H,16,18,20)
InChIKeySBSYCJLWMOPXGL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.30
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 115945885) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID115945885
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C15H18N2O3/c1-4-5-12-13(18)16-15(20)17(14(12)19)11-7-6-9(2)10(3)8-11/h6-8,12H,4-5H2,1-3H3,(H,16,18,20)
InChIKeySBSYCJLWMOPXGL-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.30
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-bromo-3-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946331
1-(3,4-difluorophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945757
(5R)-5-butyl-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2200485
1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946400
1-(4-bromophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112598679
1-(3-chloro-5-fluorophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 107371233
1-(2-ethyl-6-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946102
1-(3-chloro-2-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946218
1-(3-fluoro-2-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115947086
1-(2-methylsulfanylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 107647379
[(1R,2R)-2-[[(5R)-1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium
CID 7461937
[(1S,2S)-2-[[(5S)-1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium
CID 11905747

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 115945885) is 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SBSYCJLWMOPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-5-12-13(18)16-15(20)17(14(12)19)11-7-6-9(2)10(3)8-11/h6-8,12H,4-5H2,1-3H3,(H,16,18,20).
What are the key properties of 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 274.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115945885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).