N-methyl-6-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine dihydrochloride

• ChemBase ID: 63044
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: n1c(cc(nc1)CC1CNCC1)NC.Cl.Cl
• Canonical SMILES: CNc1ncnc(c1)CC1CNCC1.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c1-11-10-5-9(13-7-14-10)4-8-2-3-12-6-8;;/h5,7-8,12H,2-4,6H2,1H3,(H,11,13,14);2*1H
• InChIKey: JUMRUZLIVNIQHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606267
• PubChem SID: 162028783
• PubChem CID: 71298992

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.08777
• LogD (pH = 7.4): -2.9232652
• Log P: 0.17390572
• Molar Refractivity: 58.1498 cm^3
• Polarizability: 21.440617 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false