N-({2-[(dimethylamino)methyl]phenyl}methyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 458027
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c12c(nc(nc1N(Cc1c(CN(C)C)cccc1)C)C)oc(n2)C
• Canonical SMILES: CN(Cc1ccccc1CN(c1nc(C)nc2c1nc(o2)C)C)C
• InChI: InChI=1S/C18H23N5O/c1-12-19-17(16-18(20-12)24-13(2)21-16)23(5)11-15-9-7-6-8-14(15)10-22(3)4/h6-9H,10-11H2,1-5H3
• InChIKey: AYIJZRHXNAVHMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[(dimethylamino)methyl]phenyl}methyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-({2-[(dimethylamino)methyl]phenyl}methyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-{2-[(dimethylamino)methyl]benzyl}-N,2,5-trimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.09516942
• LogD (pH = 7.4): 1.6087468
• Log P: 3.0857787
• Molar Refractivity: 96.3025 cm^3
• Polarizability: 36.368874 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.65
• LOG S: -2.83
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5