N,N,5-trimethyl-2-[4-(2-propoxyethyl)piperazin-1-yl]pyrimidin-4-amine

• ChemBase ID: 575049
• Molecular Formular: C16H29N5O
• Molecular Mass: 307.43436
• Monoisotopic Mass: 307.23721057
• SMILES: n1c(N2CCN(CC2)CCOCCC)ncc(c1N(C)C)C
• Canonical SMILES: CCCOCCN1CCN(CC1)c1ncc(c(n1)N(C)C)C
• InChI: InChI=1S/C16H29N5O/c1-5-11-22-12-10-20-6-8-21(9-7-20)16-17-13-14(2)15(18-16)19(3)4/h13H,5-12H2,1-4H3
• InChIKey: ACMGXCZSFHAPHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,5-trimethyl-2-[4-(2-propoxyethyl)piperazin-1-yl]pyrimidin-4-amine
• IUPAC Traditional name: N,N,5-trimethyl-2-[4-(2-propoxyethyl)piperazin-1-yl]pyrimidin-4-amine
• Synonyms: N,N,5-trimethyl-2-[4-(2-propoxyethyl)piperazin-1-yl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.5702203
• LogD (pH = 7.4): 2.5170085
• Log P: 2.7319624
• Molar Refractivity: 93.2464 cm^3
• Polarizability: 34.3247 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.32
• LOG S: -2.42
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 7