N1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}pentane-1,5-diamine

• ChemBase ID: 449400
• Molecular Formular: C14H21N5
• Molecular Mass: 259.35004
• Monoisotopic Mass: 259.1796957
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCCCN
• Canonical SMILES: NCCCCCNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C14H21N5/c1-10-8-11(2)19-14-12(10)13(17-9-18-14)16-7-5-3-4-6-15/h8-9H,3-7,15H2,1-2H3,(H,16,17,18,19)
• InChIKey: CXSIVUVEQIONOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}pentane-1,5-diamine
• IUPAC Traditional name: N1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}pentane-1,5-diamine
• Synonyms: (5-aminopentyl)(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 19.167252
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.5657525
• LogD (pH = 7.4): -1.1350092
• Log P: 1.4693291
• Molar Refractivity: 80.4172 cm^3
• Polarizability: 29.889502 Å^3
• Polar Surface Area: 76.72 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 2
• Log P: 1.25
• LOG S: -1.15
• Polar Surface Area: 76.72 Å^2