5-methyl-1,3-diazinane-2,4-dione

C10H16N4O4 — CID 78178271

IUPAC5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CNC(=O)NC1=O.CC1CNC(=O)NC1=O
InChIInChI=1S/2C5H8N2O2/c2*1-3-2-6-5(9)7-4(3)8/h2*3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyLLKKUPSEVLVEQF-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.08
Rot. Bonds

About 5-methyl-1,3-diazinane-2,4-dione

5-methyl-1,3-diazinane-2,4-dione (PubChem CID 78178271) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1,3-diazinane-2,4-dione
PubChem CID78178271
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CNC(=O)NC1=O.CC1CNC(=O)NC1=O
InChIInChI=1S/2C5H8N2O2/c2*1-3-2-6-5(9)7-4(3)8/h2*3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyLLKKUPSEVLVEQF-UHFFFAOYSA-N
XLogP-1.08
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1,3-diazinane-2,4-dione (CID 78178271) is 5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1,3-diazinane-2,4-dione is CC1CNC(=O)NC1=O.CC1CNC(=O)NC1=O.
What is the InChIKey of 5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is LLKKUPSEVLVEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2O2/c2*1-3-2-6-5(9)7-4(3)8/h2*3H,2H2,1H3,(H2,6,7,8,9).
What are the key properties of 5-methyl-1,3-diazinane-2,4-dione?
5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -1.08, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78178271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).