5-chloro-6-methyl-1,3-diazinane-2,4-dione

C5H7ClN2O2 — CID 45358690

IUPAC5-chloro-6-methyl-1,3-diazinane-2,4-dione
SMILESCC1NC(=O)NC(=O)C1Cl
InChIInChI=1S/C5H7ClN2O2/c1-2-3(6)4(9)8-5(10)7-2/h2-3H,1H3,(H2,7,8,9,10)
InChIKeyPYOQWTFXYQTYRV-UHFFFAOYSA-N
MW162.58 g/mol
LogP-0.18
Rot. Bonds

About 5-chloro-6-methyl-1,3-diazinane-2,4-dione

5-chloro-6-methyl-1,3-diazinane-2,4-dione (PubChem CID 45358690) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 5-chloro-6-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-chloro-6-methyl-1,3-diazinane-2,4-dione
PubChem CID45358690
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name5-chloro-6-methyl-1,3-diazinane-2,4-dione
SMILESCC1NC(=O)NC(=O)C1Cl
InChIInChI=1S/C5H7ClN2O2/c1-2-3(6)4(9)8-5(10)7-2/h2-3H,1H3,(H2,7,8,9,10)
InChIKeyPYOQWTFXYQTYRV-UHFFFAOYSA-N
XLogP-0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-1,3-diazinane-2,4-dione
CID 45035550
6-methyl-5-nitro-1,3-diazinane-2,4-dione
CID 71303801
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
(5S)-5-hydroxyimidazolidine-2,4-dione
CID 40649061
3,5,9,11-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,10,12-tetrone
CID 101425559
(5R,6R)-3-tert-butyl-5-chloro-6-methyl-1,3-diazinane-2,4-dione
CID 720708
5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one
CID 78207197
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
4-iodo-5-methylimidazolidin-2-one
CID 147926542
4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 15773209
1-deuterio-4,5-dimethylimidazolidin-2-one
CID 139901387
(4R,5R)-4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 24884185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-chloro-6-methyl-1,3-diazinane-2,4-dione (CID 45358690) is 5-chloro-6-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-chloro-6-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-chloro-6-methyl-1,3-diazinane-2,4-dione is CC1NC(=O)NC(=O)C1Cl.
What is the InChIKey of 5-chloro-6-methyl-1,3-diazinane-2,4-dione?
The InChIKey is PYOQWTFXYQTYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2/c1-2-3(6)4(9)8-5(10)7-2/h2-3H,1H3,(H2,7,8,9,10).
What are the key properties of 5-chloro-6-methyl-1,3-diazinane-2,4-dione?
5-chloro-6-methyl-1,3-diazinane-2,4-dione has a molecular weight of 162.58 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 45358690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).