4-(6-hydrazinylpyrimidin-4-yl)morpholine

• ChemBase ID: 101863
• Molecular Formular: C8H13N5O
• Molecular Mass: 195.22172
• Monoisotopic Mass: 195.11201006
• SMILES: c1(cc(ncn1)NN)N1CCOCC1
• Canonical SMILES: NNc1ncnc(c1)N1CCOCC1
• InChI: InChI=1S/C8H13N5O/c9-12-7-5-8(11-6-10-7)13-1-3-14-4-2-13/h5-6H,1-4,9H2,(H,10,11,12)
• InChIKey: XWDNLTCJJYYYCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-hydrazinylpyrimidin-4-yl)morpholine
• IUPAC Traditional name: 4-(6-hydrazinylpyrimidin-4-yl)morpholine
• Synonyms: 4-(6-hydrazino-4-pyrimidinyl)morpholine

Database IDs

• CAS Number: 5767-36-2
• MDL Number: MFCD11655642
• PubChem SID: 162088378
• PubChem CID: 13393622

CALCULATED PROPERTIES

• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 19.757378
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.4230833
• LogD (pH = 7.4): -0.55405957
• Log P: 0.51983654
• Molar Refractivity: 56.5591 cm^3
• Polarizability: 19.604193 Å^3

PROPERTIES

Product Information

• Purity: 95%