N2,N2,6-trimethyl-N4-[3-(pyrrolidin-1-yl)propyl]pyrimidine-2,4-diamine

• ChemBase ID: 766752
• Molecular Formular: C14H25N5
• Molecular Mass: 263.3818
• Monoisotopic Mass: 263.21099583
• SMILES: c1(nc(cc(n1)C)NCCCN1CCCC1)N(C)C
• Canonical SMILES: Cc1cc(NCCCN2CCCC2)nc(n1)N(C)C
• InChI: InChI=1S/C14H25N5/c1-12-11-13(17-14(16-12)18(2)3)15-7-6-10-19-8-4-5-9-19/h11H,4-10H2,1-3H3,(H,15,16,17)
• InChIKey: QEARGEJPOWLEQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,6-trimethyl-N4-[3-(pyrrolidin-1-yl)propyl]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,6-trimethyl-N4-[3-(pyrrolidin-1-yl)propyl]pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,6-trimethyl-N~4~-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.581568
• LogD (pH = 7.4): -0.9702931
• Log P: 1.5195729
• Molar Refractivity: 82.6212 cm^3
• Polarizability: 29.947506 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.05
• LOG S: -2.71
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 6