6-Amino-5-(2-chloroacetyl)-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Basic information
- CAS
743444-45-3- Standard SMILES
CCCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O- InChIKey
BFDKKPFDHUYHQY-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3O3
- Average molar mass
- 245.66 g/mol
- Monoisotopic mass
- 245.0567189
Names & identifiers
- Preferred name
- 6-Amino-5-(2-chloroacetyl)-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- IUPAC
- 6-amino-5-(2-chloroacetyl)-1-propylpyrimidine-2,4-dione
Names & synonyms
6-amino-5-(2-chloroacetyl)-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione743444-45-36-amino-5-(chloroacetyl)-1-propylpyrimidine-2,4(1H,3H)-dione6-amino-5-(2-chloroacetyl)-1-propylpyrimidine-2,4-dioneDTXSID001176844AKOS005261859NCGC00660608-01CS-0220654EN300-07209G38587SR-01000050445SR-01000050445-1
Show more names
Z569687976-amino-5-(2-chloroacetyl)-1-propyl-pyrimidine-2,4-dione6-Amino-5-(2-chloroacetyl)-1-propyl-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
743444-45-3- PubChem CID
- 2113285
- DTXSID
DTXSID001176844
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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