4-(1H-imidazol-1-yl)-N-methyl-6-(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine
Basic information
- Standard SMILES
CN(c1ccccc1)c1nc(N2CCOCC2)nc(-n2ccnc2)n1- InChIKey
DXDWMHWXDNCXQB-UHFFFAOYSA-N- Molecular formula
- C17H19N7O
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.16510826
Names & identifiers
- Preferred name
- 4-(1H-imidazol-1-yl)-N-methyl-6-(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine
- IUPAC
- 4-imidazol-1-yl-N-methyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
Names & synonyms
ZINC22108ZINC00022108SCHEMBL1444931CHEMBL4520215DXDWMHWXDNCXQB-UHFFFAOYSA-NHMS3431F09MFCD03821205STK208911AKOS001732147ST107088ZINC000000022108SR-01000091560
Show more names
SR-01000091560-14IMIDAZOL1YLNMETHYL6MORPHOLIN4YLNPHENYL135TRIAZIN2AMINECN(C1=CC=CC=C1)C2=NC(=NC(=N2)N3CCOCC3)N4C=CN=C42(1IMIDAZOLYL)4(NMETHYLNPHENYLAMINO)6MORPHOLINO135TRIAZINENMETHYLNPHENYL4MORPHOLINO6(1HIMIDAZOL1YL)135TRIAZIN2AMINE2-(1-Imidazolyl)-4-(N-methyl-N-phenylamino)-6-morpholino-1,3,5-triazine4(1HIMIDAZOL1YL)NMETHYL6(MORPHOLIN4YL)NPHENYL135TRIAZIN2AMINE4-(IMIDAZOL-1-YL)-N-METHYL-6-(MORPHOLIN-4-YL)-N-PHENYL-1,3,5-TRIAZIN-2-AMINE
Database identifiers
- PubChem CID
- 667707
- ChEMBL
CHEMBL4520215- Nikkaji
- J819.142E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
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