5-(Chloromethyl)-3-methylpyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
32079-00-8- Standard SMILES
Cn1c(=O)[nH]cc(CCl)c1=O- InChIKey
XKSCOSUTBALSFQ-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O2
- Average molar mass
- 174.58 g/mol
- Monoisotopic mass
- 174.0196052
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-3-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 5-(chloromethyl)-3-methyl-1H-pyrimidine-2,4-dione
Names & synonyms
32079-00-83-methyl-5-chloromethyl uracilSCHEMBL79511525-(Chloromethyl)-3-methylpyrimidine-2,4(1H,3H)-dioneDTXSID30618475XKSCOSUTBALSFQ-UHFFFAOYSA-N
Database identifiers
- CAS
32079-00-8- PubChem CID
- 21821995
- DTXSID
DTXSID30618475
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 237
Related reactions
4 records
Compound notes
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