N,N-bis(2-ethoxyethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 561983
• Molecular Formular: C14H22N4O3
• Molecular Mass: 294.34948
• Monoisotopic Mass: 294.16919058
• SMILES: c12nc(oc1ncnc2N(CCOCC)CCOCC)C
• Canonical SMILES: CCOCCN(c1ncnc2c1nc(o2)C)CCOCC
• InChI: InChI=1S/C14H22N4O3/c1-4-19-8-6-18(7-9-20-5-2)13-12-14(16-10-15-13)21-11(3)17-12/h10H,4-9H2,1-3H3
• InChIKey: MYDGFRZXXIRLQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.2088532
• LogD (pH = 7.4): 1.2090456
• Log P: 1.2090482
• Molar Refractivity: 80.107 cm^3
• Polarizability: 30.43945 Å^3
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.43
• LOG S: -2.56
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 9