2-(morpholin-4-yl)pyrimidine-4,6-diamine

• ChemBase ID: 308296
• Molecular Formular: C8H13N5O
• Molecular Mass: 195.22172
• Monoisotopic Mass: 195.11201006
• SMILES: c1(nc(cc(n1)N)N)N1CCOCC1
• Canonical SMILES: Nc1nc(nc(c1)N)N1CCOCC1
• InChI: InChI=1S/C8H13N5O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H4,9,10,11,12)
• InChIKey: LFNINLGZOWXWNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyrimidine-4,6-diamine
• IUPAC Traditional name: 2-(morpholin-4-yl)pyrimidine-4,6-diamine
• Synonyms: 2-(4-morpholinyl)-4,6-pyrimidinediamine

Database IDs

• CAS Number: 122324-16-7
• MDL Number: MFCD09438668

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.2739549
• LogD (pH = 7.4): -0.008725973
• Log P: 0.14912803
• Molar Refractivity: 56.1992 cm^3
• Polarizability: 19.333847 Å^3
• Polar Surface Area: 90.29 Å^2