1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione

C7H10N2O3 — CID 12864692

IUPAC1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)CC(=O)N(C)C1=O
InChIInChI=1S/C7H10N2O3/c1-3-9-6(11)4-5(10)8(2)7(9)12/h3-4H2,1-2H3
InChIKeyAHCIDIIPDVSEQX-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.18
Rot. Bonds1

About 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione

1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 12864692) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
PubChem CID12864692
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)CC(=O)N(C)C1=O
InChIInChI=1S/C7H10N2O3/c1-3-9-6(11)4-5(10)8(2)7(9)12/h3-4H2,1-2H3
InChIKeyAHCIDIIPDVSEQX-UHFFFAOYSA-N
XLogP-0.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethylbarbituric acid
CID 69860
1,3-Diethyl-2-thiobarbituric acid
CID 78890
Hydrouracil, 1-methyl-
CID 237963
1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 75722
1,3,5-Trimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 81820
1-(Propan-2-yl)-1,3-diazinane-2,4-dione
CID 253730
1,3-Dimethyl-1,3-diazinane-2,4-dione
CID 588295
1,3-Dipropylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 12470916
1-Butyldihydropyrimidine-2,4(1h,3h)-dione
CID 243297
Sbb038952
CID 4736903
1,3-Diethylbarbituric acid
CID 122889
1-Ethyl-1,3-diazinane-2,4,6-trione
CID 257087

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione (CID 12864692) is 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione is CCN1C(=O)CC(=O)N(C)C1=O.
What is the InChIKey of 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is AHCIDIIPDVSEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-9-6(11)4-5(10)8(2)7(9)12/h3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione?
1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 170.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12864692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).