6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

• ChemBase ID: 308318
• Molecular Formular: C8H13N5
• Molecular Mass: 179.22232
• Monoisotopic Mass: 179.11709544
• SMILES: n1c(nc(nc1C1CC1)N)N(C)C
• Canonical SMILES: Nc1nc(nc(n1)C1CC1)N(C)C
• InChI: InChI=1S/C8H13N5/c1-13(2)8-11-6(5-3-4-5)10-7(9)12-8/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
• InChIKey: SFPXQYOZUGOKSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
• Synonyms: 6-cyclopropyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine

Database IDs

• CAS Number: 634165-96-1
• MDL Number: MFCD03819536

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.67690045
• LogD (pH = 7.4): 1.6480006
• Log P: 1.699775
• Molar Refractivity: 53.5662 cm^3
• Polarizability: 18.351967 Å^3
• Polar Surface Area: 67.93 Å^2