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Name |
PIK-293 |
EINECS | N/A |
CAS No. | 900185-01-5 | Density | 1.436 g/cm3 |
PSA | 104.51000 | LogP | 3.35390 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H19N7O | Boiling Point | 673.681 °C at 760 mmHg |
Molecular Weight | 397.439 | Flash Point | 361.229 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone; |
Article Data | 1 |
The 4(3H)-Quinazolinone, 2-[(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)-, with the CAS registry number 900185-01-5, is also known as PIK-293. This chemical's molecular formula is C22H19N7O and molecular weight is 397.17. What's more, its systematic name is called 2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone.
Physical properties about 4(3H)-Quinazolinone, 2-[(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)- are: (1)ACD/LogP: 2.611; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 54.35; (6)ACD/BCF (pH 7.4): 56.74; (7)ACD/KOC (pH 5.5): 600.24; (8)ACD/KOC (pH 7.4): 626.55; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 102.29 Å2; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 113.716 cm3; (15)Molar Volume: 276.686 cm3; (16)Surface Tension: 61.52 dyne/cm; (17)Density: 1.436 g/cm3; (18)Flash Point: 361.229 °C; (19)Enthalpy of Vaporization: 98.944 kJ/mol; (20)Boiling Point: 673.681 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(c1ccccc1C)/C(=N\c3cccc(c23)C)Cn4c5ncnc(c5nc4)N
(2) InChI: InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
(3) InChIKey: GNWHRHGTIBRNSM-UHFFFAOYSA-N