N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

• ChemBase ID: 489819
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: c12c(onc2C)ncnc1NCCCn1c(C2CC2)ccn1
• Canonical SMILES: Cc1noc2c1c(NCCCn1nccc1C1CC1)ncn2
• InChI: InChI=1S/C15H18N6O/c1-10-13-14(17-9-18-15(13)22-20-10)16-6-2-8-21-12(5-7-19-21)11-3-4-11/h5,7,9,11H,2-4,6,8H2,1H3,(H,16,17,18)
• InChIKey: MYSGAYWRFAFOFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-methylisoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.653595
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.90691084
• LogD (pH = 7.4): 0.91203225
• Log P: 0.91209793
• Molar Refractivity: 95.7443 cm^3
• Polarizability: 30.873863 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.74
• LOG S: -3.9
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 6