6-(aminomethyl)-2-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyrimidin-4-amine

• ChemBase ID: 331064
• Molecular Formular: C15H18N4
• Molecular Mass: 254.33022
• Monoisotopic Mass: 254.1531466
• SMILES: [C@@H]1([C@@H](C1)c1ccccc1)Nc1nc(nc(c1)CN)C
• Canonical SMILES: NCc1cc(N[C@@H]2C[C@H]2c2ccccc2)nc(n1)C
• InChI: InChI=1S/C15H18N4/c1-10-17-12(9-16)7-15(18-10)19-14-8-13(14)11-5-3-2-4-6-11/h2-7,13-14H,8-9,16H2,1H3,(H,17,18,19)/t13-,14+/m0/s1
• InChIKey: WEWHLOQMFSPJKW-UONOGXRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)-2-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-(aminomethyl)-2-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyrimidin-4-amine
• Synonyms: 6-(aminomethyl)-2-methyl-N-[(1R*,2S*)-2-phenylcyclopropyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.419065
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7804512
• LogD (pH = 7.4): 0.90364164
• Log P: 2.002777
• Molar Refractivity: 77.583 cm^3
• Polarizability: 29.123365 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.51
• LOG S: -1.34
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 4