6-cyclopropyl-N-[2-(1H-imidazol-1-yl)ethyl]-N-methylpyrimidin-4-amine

• ChemBase ID: 830998
• Molecular Formular: C13H17N5
• Molecular Mass: 243.30758
• Monoisotopic Mass: 243.14839557
• SMILES: c1(cc(C2CC2)ncn1)N(CCn1cncc1)C
• Canonical SMILES: CN(c1ncnc(c1)C1CC1)CCn1cncc1
• InChI: InChI=1S/C13H17N5/c1-17(6-7-18-5-4-14-10-18)13-8-12(11-2-3-11)15-9-16-13/h4-5,8-11H,2-3,6-7H2,1H3
• InChIKey: RLPZHXDPKCXYLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropyl-N-[2-(1H-imidazol-1-yl)ethyl]-N-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-cyclopropyl-N-[2-(imidazol-1-yl)ethyl]-N-methylpyrimidin-4-amine
• Synonyms: 6-cyclopropyl-N-[2-(1H-imidazol-1-yl)ethyl]-N-methylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.71071416
• LogD (pH = 7.4): 1.4967511
• Log P: 1.5703301
• Molar Refractivity: 71.3956 cm^3
• Polarizability: 26.245155 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.21
• LOG S: -2.45
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5