2-(morpholin-4-yl)pyrimidine-5-carbonitrile

• ChemBase ID: 308419
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: c1(ncc(C#N)cn1)N1CCOCC1
• Canonical SMILES: N#Cc1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H10N4O/c10-5-8-6-11-9(12-7-8)13-1-3-14-4-2-13/h6-7H,1-4H2
• InChIKey: KSMVRJLJJVGWSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyrimidine-5-carbonitrile
• IUPAC Traditional name: 2-(morpholin-4-yl)pyrimidine-5-carbonitrile
• Synonyms: 2-(4-morpholinyl)-5-pyrimidinecarbonitrile

Database IDs

• CAS Number: 400082-62-4
• MDL Number: MFCD00232774

CALCULATED PROPERTIES

• Log P: 0.47416106
• Molar Refractivity: 51.893 cm^3
• Polarizability: 18.88017 Å^3
• Polar Surface Area: 62.04 Å^2
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.47416082
• LogD (pH = 7.4): 0.47416106