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

• ChemBase ID: 629813
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: c1(c2c(ncn1)CNCC2)NC(c1cc2c(cc1)CCCC2)C
• Canonical SMILES: CC(c1ccc2c(c1)CCCC2)Nc1ncnc2c1CCNC2
• InChI: InChI=1S/C19H24N4/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)23-19-17-8-9-20-11-18(17)21-12-22-19/h6-7,10,12-13,20H,2-5,8-9,11H2,1H3,(H,21,22,23)
• InChIKey: UZSDDVGKBVGYHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.35517
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1038202
• LogD (pH = 7.4): 2.8199344
• Log P: 3.3899827
• Molar Refractivity: 95.7786 cm^3
• Polarizability: 35.683365 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.3
• LOG S: -3.26
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 3