4-(morpholin-4-yl)-N,N-bis(propan-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide

• ChemBase ID: 788685
• Molecular Formular: C18H29N5O2
• Molecular Mass: 347.45516
• Monoisotopic Mass: 347.23212519
• SMILES: C(=O)(N1Cc2c(c(N3CCOCC3)ncn2)CC1)N(C(C)C)C(C)C
• Canonical SMILES: CC(N(C(=O)N1CCc2c(C1)ncnc2N1CCOCC1)C(C)C)C
• InChI: InChI=1S/C18H29N5O2/c1-13(2)23(14(3)4)18(24)22-6-5-15-16(11-22)19-12-20-17(15)21-7-9-25-10-8-21/h12-14H,5-11H2,1-4H3
• InChIKey: SVVLCTMLDQZRAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)-N,N-bis(propan-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide
• IUPAC Traditional name: N,N-diisopropyl-4-(morpholin-4-yl)-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide
• Synonyms: N,N-diisopropyl-4-morpholin-4-yl-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4671772
• LogD (pH = 7.4): 1.483745
• Log P: 1.4839605
• Molar Refractivity: 98.9451 cm^3
• Polarizability: 37.049446 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.23
• LOG S: -2.78
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3