1-[6-(morpholin-4-yl)pyrimidin-4-yl]piperidin-3-amine

• ChemBase ID: 274219
• Molecular Formular: C13H21N5O
• Molecular Mass: 263.33874
• Monoisotopic Mass: 263.17461032
• SMILES: c1(N2CC(N)CCC2)cc(N2CCOCC2)ncn1
• Canonical SMILES: NC1CCCN(C1)c1ncnc(c1)N1CCOCC1
• InChI: InChI=1S/C13H21N5O/c14-11-2-1-3-18(9-11)13-8-12(15-10-16-13)17-4-6-19-7-5-17/h8,10-11H,1-7,9,14H2
• InChIKey: JYIUJTXFRRPARW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(morpholin-4-yl)pyrimidin-4-yl]piperidin-3-amine
• IUPAC Traditional name: 1-[6-(morpholin-4-yl)pyrimidin-4-yl]piperidin-3-amine
• Synonyms: 1-[6-(morpholin-4-yl)pyrimidin-4-yl]piperidin-3-amine

Database IDs

• MDL Number: MFCD20233445
• PubChem SID: 164330129
• PubChem CID: 54593077

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.1581087
• LogD (pH = 7.4): -1.5160785
• Log P: 0.90481853
• Molar Refractivity: 76.442 cm^3
• Polarizability: 28.154644 Å^3
• Polar Surface Area: 67.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.209

Product Information

• Purity: 95%