Basic information
- CAS
22283-14-3- Standard SMILES
Cn1c(=O)[nH]c(N)c(C(=O)CCl)c1=O- InChIKey
MTFLEBOPKXUJOZ-UHFFFAOYSA-N- Molecular formula
- C7H8ClN3O3
- Average molar mass
- 217.61 g/mol
- Monoisotopic mass
- 217.0254188
Names & identifiers
- Preferred name
- 6-amino-5-(chloroacetyl)-3-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-amino-5-(2-chloroacetyl)-3-methyl-1H-pyrimidine-2,4-dione
Names & synonyms
NSC62277722283-14-3MTFLEBOPKXUJOZ-UHFFFAOYSA-DTXSID103269406-amino-5-(chloroacetyl)-3-methylpyrimidine-2,4(1H,3H)-dioneNSC-622777InChI=1/C7H8ClN3O3/c1-11-6(13)4(3(12)2-8)5(9)10-7(11)14/h2,9H2,1H3,(H,10,14)
Database identifiers
- CAS
22283-14-3- PubChem CID
- 360602
- DTXSID
DTXSID10326940- Nikkaji
- J341.132J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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