s-Triazine, 2-amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-
Basic information
- CAS
21868-47-3- Standard SMILES
Nc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCOCC2)n1- InChIKey
XOJPBSDJHKZZML-UHFFFAOYSA-N- Molecular formula
- C18H25N7O
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.21205845
Names & identifiers
- Preferred name
- s-Triazine, 2-amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-
- IUPAC
- 4-morpholin-4-yl-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
- English name
- 4-(morpholin-4-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
- Molecular formula
- C18H25N7O
- Molecular weight
- 355.44
Names & synonyms
21868-47-3s-Triazine, 2-amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-BRN 1173923DTXSID801762722-Amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-s-triazineRefChem:379691DTXCID5098763AF481,3,5-triazin-2-amine, 4-(4-morpholinyl)-6-[(4-phenyl-1-piperazinyl)methyl]-4-(morpholin-4-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine4-morpholin-4-yl-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amineorb1698715
Show more names
AF 48AF-48
SCHEMBL29441740STK320696AKOS002302164ST106196ST50798235T296854-morpholino-6-((4-phenylpiperazin-1-yl)methyl)-1,3,5-triazin-2-amine6-morpholin-4-yl-4-[(4-phenylpiperazinyl)methyl]-1,3,5-triazine-2-ylamine
Database identifiers
- CAS
21868-47-3- PubChem CID
- 210898
- DTXSID
DTXSID80176272
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 609.9 · 609.9±65.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 5.9 · 5.90±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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