Basic information
- CAS
3223-19-6- Standard SMILES
CCOC(=O)C1CCCCN1c1ccnc(NP(=O)(N2CC2)N2CC2)n1- InChIKey
KXXIYKGWJYRJLI-UHFFFAOYSA-N- Molecular formula
- C16H25N6O3P
- Average molar mass
- 380.38 g/mol
- Monoisotopic mass
- 380.17257568
Names & identifiers
- Preferred name
- Pipecolic acid, 1-(2-((bis(1-aziridinyl)phosphinyl)amino)-4-pyrimidinyl)-, ethyl ester
- IUPAC
- ethyl 1-[2-[bis(aziridin-1-yl)phosphorylamino]pyrimidin-4-yl]piperidine-2-carboxylate
Names & synonyms
1-(2-((Bis(1-aziridinyl)phosphinyl)amino)-4-pyrimidinyl)pipecolic acid ethyl ester3223-19-6Pipecolic acid, 1-(2-((bis(1-aziridinyl)phosphinyl)amino)-4-pyrimidinyl)-, ethyl esterRefChem:371685DTXSID70954066Ethyl 1-(2-{[bis(aziridin-1-yl)phosphoryl]amino}pyrimidin-4-yl)piperidine-2-carboxylate
Database identifiers
- CAS
3223-19-6- PubChem CID
- 201095
- DTXSID
DTXSID70954066
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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