N2,N2-dimethyl-N4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine

• ChemBase ID: 677319
• Molecular Formular: C19H32N6O
• Molecular Mass: 360.49698
• Monoisotopic Mass: 360.26375967
• SMILES: n1c(nc2c(c1NC1CCN(CC3OCCC3)CC1)CCNC2)N(C)C
• Canonical SMILES: CN(c1nc(NC2CCN(CC2)CC2CCCO2)c2c(n1)CNCC2)C
• InChI: InChI=1S/C19H32N6O/c1-24(2)19-22-17-12-20-8-5-16(17)18(23-19)21-14-6-9-25(10-7-14)13-15-4-3-11-26-15/h14-15,20H,3-13H2,1-2H3,(H,21,22,23)
• InChIKey: NKQDAYRPGXJAKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2-dimethyl-N4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2-dimethyl-N4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~-dimethyl-N~4~-[1-(tetrahydrofuran-2-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.184212
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -4.244355
• LogD (pH = 7.4): -0.8013942
• Log P: 1.0289054
• Molar Refractivity: 107.3454 cm^3
• Polarizability: 39.91629 Å^3
• Polar Surface Area: 65.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.52
• LOG S: -2.12
• Polar Surface Area: 65.55 Å^2
• Rotatable Bonds: 5