4-cyclopropyl-6-methyl-1,3,5-triazin-2-amine

• ChemBase ID: 273311
• Molecular Formular: C7H10N4
• Molecular Mass: 150.1811
• Monoisotopic Mass: 150.09054634
• SMILES: n1c(nc(nc1N)C)C1CC1
• Canonical SMILES: Cc1nc(N)nc(n1)C1CC1
• InChI: InChI=1S/C7H10N4/c1-4-9-6(5-2-3-5)11-7(8)10-4/h5H,2-3H2,1H3,(H2,8,9,10,11)
• InChIKey: KKTCFUDKDRTYTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-6-methyl-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4-cyclopropyl-6-methyl-1,3,5-triazin-2-amine
• Synonyms: 4-cyclopropyl-6-methyl-1,3,5-triazin-2-amine

Database IDs

• MDL Number: MFCD18483320
• PubChem SID: 164329221
• PubChem CID: 20277664

CALCULATED PROPERTIES

• Acid pKa: 15.996685
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2254012
• LogD (pH = 7.4): 1.4271189
• Log P: 1.4304091
• Molar Refractivity: 43.816 cm^3
• Polarizability: 15.292684 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 0.285

Product Information

• Purity: 95%