2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 860142
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: c12c(N(Cc3ncccc3)CC3OCCC3)ncnc2oc(n1)C
• Canonical SMILES: Cc1oc2c(n1)c(ncn2)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C17H19N5O2/c1-12-21-15-16(19-11-20-17(15)24-12)22(10-14-6-4-8-23-14)9-13-5-2-3-7-18-13/h2-3,5,7,11,14H,4,6,8-10H2,1H3
• InChIKey: JMRIRKQPXSCJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: 2-methyl-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5783292
• LogD (pH = 7.4): 1.5960144
• Log P: 1.5962448
• Molar Refractivity: 88.711 cm^3
• Polarizability: 34.007088 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.31
• LOG S: -1.39
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5