2-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine dihydrochloride

• ChemBase ID: 62357
• Molecular Formular: C16H25Cl2N5O2
• Molecular Mass: 390.308
• Monoisotopic Mass: 389.13853043
• SMILES: n12c(c(c(n1)C)CN1CCOCC1)nccc2C1OCCNC1.Cl.Cl
• Canonical SMILES: Cc1nn2c(c1CN1CCOCC1)nccc2C1CNCCO1.Cl.Cl
• InChI: InChI=1S/C16H23N5O2.2ClH/c1-12-13(11-20-5-8-22-9-6-20)16-18-3-2-14(21(16)19-12)15-10-17-4-7-23-15;;/h2-3,15,17H,4-11H2,1H3;2*1H
• InChIKey: ACEAXXQZWFIHTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine dihydrochloride
• IUPAC Traditional name: 2-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine dihydrochloride
• Synonyms: 2-Methyl-7-morpholin-2-yl-3-morpholin-4-ylmethyl-pyrazolo[1,5-a]pyrimidine dihydrochloride

Database IDs

• MDL Number: MFCD21605937
• PubChem SID: 162028096
• PubChem CID: 71298684

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.1804826
• LogD (pH = 7.4): -0.7861986
• Log P: -0.17314433
• Molar Refractivity: 97.8525 cm^3
• Polarizability: 33.70768 Å^3
• Polar Surface Area: 63.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false