N,2-dimethyl-6-(pyrrolidin-3-yl)pyrimidin-4-amine dihydrochloride

• ChemBase ID: 62980
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: n1c(cc(nc1C)C1CNCC1)NC.Cl.Cl
• Canonical SMILES: CNc1cc(nc(n1)C)C1CNCC1.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c1-7-13-9(5-10(11-2)14-7)8-3-4-12-6-8;;/h5,8,12H,3-4,6H2,1-2H3,(H,11,13,14);2*1H
• InChIKey: ZIFKLCOZLRTQMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-6-(pyrrolidin-3-yl)pyrimidin-4-amine dihydrochloride
• IUPAC Traditional name: N,2-dimethyl-6-(pyrrolidin-3-yl)pyrimidin-4-amine dihydrochloride
• Synonyms: Methyl-(2-methyl-6-pyrrolidin-3-yl-pyrimidin-4-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606222
• PubChem SID: 162028719
• PubChem CID: 71298942

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.836537
• LogD (pH = 7.4): -2.301411
• Log P: 0.6803684
• Molar Refractivity: 58.1221 cm^3
• Polarizability: 21.363188 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false