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

• ChemBase ID: 62956
• Molecular Formular: C11H20Cl2N4
• Molecular Mass: 279.2093
• Monoisotopic Mass: 278.10650202
• SMILES: n1c(nc(cc1N(C)C)C)C1CNCC1.Cl.Cl
• Canonical SMILES: Cc1cc(nc(n1)C1CNCC1)N(C)C.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-8-6-10(15(2)3)14-11(13-8)9-4-5-12-7-9;;/h6,9,12H,4-5,7H2,1-3H3;2*1H
• InChIKey: IPGULRSAZVOHKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606203
• PubChem SID: 162028695
• PubChem CID: 71298925

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -2.1514473
• LogD (pH = 7.4): -1.5222144
• Log P: 1.3261598
• Molar Refractivity: 62.3569 cm^3
• Polarizability: 23.20451 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false