N,N-dimethyl-4-(pyrrolidin-3-yl)pyrimidin-2-amine dihydrochloride

• ChemBase ID: 63006
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: c1(nc(C2CNCC2)ccn1)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1nccc(n1)C1CNCC1)C.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c1-14(2)10-12-6-4-9(13-10)8-3-5-11-7-8;;/h4,6,8,11H,3,5,7H2,1-2H3;2*1H
• InChIKey: XKYNKWBBTNDHQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(pyrrolidin-3-yl)pyrimidin-2-amine dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-4-(pyrrolidin-3-yl)pyrimidin-2-amine dihydrochloride
• Synonyms: Dimethyl-(4-pyrrolidin-3-yl-pyrimidin-2-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606244
• PubChem SID: 162028745
• PubChem CID: 71298968

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4578602
• LogD (pH = 7.4): -2.1472359
• Log P: 0.7828522
• Molar Refractivity: 57.365 cm^3
• Polarizability: 21.443575 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false