5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-N-(propan-2-yl)pyrimidin-2-amine

• ChemBase ID: 770484
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: N1(C(=O)c2cnc(nc2)NC(C)C)Cc2n(cnc2)CC1
• Canonical SMILES: CC(Nc1ncc(cn1)C(=O)N1CCn2c(C1)cnc2)C
• InChI: InChI=1S/C14H18N6O/c1-10(2)18-14-16-5-11(6-17-14)13(21)19-3-4-20-9-15-7-12(20)8-19/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
• InChIKey: ULGCCQRWHPEDLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-N-(propan-2-yl)pyrimidin-2-amine
• IUPAC Traditional name: 5-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-N-isopropylpyrimidin-2-amine
• Synonyms: 5-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)-N-isopropylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.864331
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6223528
• LogD (pH = 7.4): -0.18097827
• Log P: -0.14916965
• Molar Refractivity: 81.2739 cm^3
• Polarizability: 29.27539 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.53
• LOG S: -1.29
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 3