5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione

C5H8N2O2 — CID 10654245

IUPAC5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
SMILESCC1C[14NH][13C](=O)[14NH]C1=O
InChIInChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/i5+1,6+0,7+0
InChIKeyNBAKTGXDIBVZOO-XLQIKJPQSA-N
MW129.12 g/mol
LogP-0.54
Rot. Bonds

About 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione

5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione (PubChem CID 10654245) has the molecular formula C5H8N2O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
PubChem CID10654245
Molecular FormulaC5H8N2O2
Molecular Weight129.12 g/mol
Exact Mass129.06
IUPAC Name5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
SMILESCC1C[14NH][13C](=O)[14NH]C1=O
InChIInChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/i5+1,6+0,7+0
InChIKeyNBAKTGXDIBVZOO-XLQIKJPQSA-N
XLogP-0.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione with MolForge

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Related Compounds

5-methyl-4-sulfanylidene-1,3-diazinan-2-one
CID 78385770
5-iodo-1,3-diazinane-2,4-dione
CID 1283
5-(ethylamino)-1,3-diazinane-2,4-dione
CID 45036964
[(5S)-2,4-dioxo-1,3-diazinan-5-yl]boronic acid
CID 99773061
3,6,8-trimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 84620344
5-nitro-1,3-diazinane-2,4-dione
CID 15858687
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 66651136
3-methyl-6-propan-2-yloxy-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 113393567
8-chloro-3,6-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 84624728
3-methyl-6-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 84623047
3-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylic acid
CID 82790802
3-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carbonitrile
CID 104720264

Frequently Asked Questions

What is the IUPAC name of 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione (CID 10654245) is 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione is CC1C[14NH][13C](=O)[14NH]C1=O.
What is the InChIKey of 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione?
The InChIKey is NBAKTGXDIBVZOO-XLQIKJPQSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/i5+1,6+0,7+0.
What are the key properties of 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione?
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione has a molecular weight of 129.12 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione is sourced from PubChem (CID 10654245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).