2-Chloro-n-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
Basic information
- CAS
27870-38-8- Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCl- InChIKey
BPJLEHPOYRPITQ-UHFFFAOYSA-N- Molecular formula
- C7H8ClN3O3
- Average molar mass
- 217.61 g/mol
- Monoisotopic mass
- 217.0254188
Names & identifiers
- Preferred name
- 2-Chloro-n-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
- IUPAC
- 2-chloro-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
- English name
- 2-Chloro-N-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamide
- Molecular formula
- C7H8ClN3O3
- Molecular weight
- 217.61
Names & synonyms
27870-38-82-chloro-n-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide2-chloro-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamideMFCD022253185-Chloroacetamido-6-methyluracilAcetamide,2-chloro-N-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-DTXSID80356219AKOS000543533SB60046SY490317DB-047288ST50256475
Show more names
2-Chloro-N-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamideAcetamide, 2-chloro-N-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-
H390132-chloro-N-(6-methyl-2,4-dioxo(1,3-dihydropyrimidin-5-yl))acetamide2-Chloro-N-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)acetamide
Database identifiers
- CAS
27870-38-8- PubChem CID
- 820595
- DTXSID
DTXSID80356219
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 8.72 · 8.72±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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