N-[2-methyl-1-(pyridin-2-yl)propyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 364556
• Molecular Formular: C16H21N5
• Molecular Mass: 283.37144
• Monoisotopic Mass: 283.1796957
• SMILES: c1(NC(c2ncccc2)C(C)C)c2c(ncn1)CNCC2
• Canonical SMILES: CC(C(c1ccccn1)Nc1ncnc2c1CCNC2)C
• InChI: InChI=1S/C16H21N5/c1-11(2)15(13-5-3-4-7-18-13)21-16-12-6-8-17-9-14(12)19-10-20-16/h3-5,7,10-11,15,17H,6,8-9H2,1-2H3,(H,19,20,21)
• InChIKey: JJJNTFATMRKCNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-1-(pyridin-2-yl)propyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-methyl-1-(pyridin-2-yl)propyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-(2-methyl-1-pyridin-2-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.950129
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.44692057
• LogD (pH = 7.4): 1.271576
• Log P: 1.8412124
• Molar Refractivity: 84.688 cm^3
• Polarizability: 31.975842 Å^3
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.0
• LOG S: 0.19
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 4