4-{5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-yl}morpholine

• ChemBase ID: 267513
• Molecular Formular: C11H16N4O
• Molecular Mass: 220.27094
• Monoisotopic Mass: 220.13241115
• SMILES: c1(c2c(ncn1)CCNC2)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ncnc2c1CNCC2
• InChI: InChI=1S/C11H16N4O/c1-2-12-7-9-10(1)13-8-14-11(9)15-3-5-16-6-4-15/h8,12H,1-7H2
• InChIKey: ICORGBQIQCSEBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-yl}morpholine
• IUPAC Traditional name: 4-{5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-yl}morpholine
• Synonyms: 4-{5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-yl}morpholine

Database IDs

• MDL Number: MFCD17480350
• PubChem SID: 164323423
• PubChem CID: 50986271

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.413003
• LogD (pH = 7.4): -0.67681086
• Log P: 0.16179715
• Molar Refractivity: 62.5187 cm^3
• Polarizability: 23.254711 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.662

Product Information

• Purity: 95%