Ethyl 4-[2-[2,4-diamino-6-[4-(2-chloroethyl)-1-piperazinyl]-5-pyrimidinyl]diazenyl]benzoate
Basic information
- CAS
750520-40-2- Standard SMILES
CCOC(=O)c1ccc(N=Nc2c(N)nc(N)nc2N2CCN(CCCl)CC2)cc1- InChIKey
UDXABHZLBAJDSO-UHFFFAOYSA-N- Molecular formula
- C19H25ClN8O2
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.1788998
Names & identifiers
- Preferred name
- Ethyl 4-[2-[2,4-diamino-6-[4-(2-chloroethyl)-1-piperazinyl]-5-pyrimidinyl]diazenyl]benzoate
- IUPAC
- ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate
Names & synonyms
DTXSID401384556750520-40-2Ethyl 4-[2-[2,4-diamino-6-[4-(2-chloroethyl)-1-piperazinyl]-5-pyrimidinyl]diazenyl]benzoate
Database identifiers
- CAS
750520-40-2- PubChem CID
- 51503
- DTXSID
DTXSID401384556
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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