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CAS No.: | 202579-74-6 |
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Name: | DMP-904 |
Molecular Structure: | |
Formula: | C21H28N4O |
Molecular Weight: | 352.4732 |
Synonyms: | N-(1-Ethylpropyl)-3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine; |
Density: | 1.133 g/cm3 |
PSA: | 51.45000 |
LogP: | 5.00360 |
The DMP 904, with the CAS registry number 202579-74-6, is also known as (1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-amine. This chemical's molecular formula is C21H28N4O and molecular weight is 352.4732. What's more, its systematic name is called N-(1-Ethylpropyl)-3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
Physical properties about DMP 904 are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1697; (6)ACD/BCF (pH 7.4): 1791; (7)ACD/KOC (pH 5.5): 7025; (8)ACD/KOC (pH 7.4): 7413; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 51.45 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 105.077 cm3; (15)Molar Volume: 311.217 cm3; (16)Surface Tension: 37.134 dyne/cm; (17)Density: 1.133 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c(cc(n2nc(c(c12)c3ccc(OC)cc3C)C)NC(CC)CC)C
(2) InChI: InChI=1/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3
(3) InChIKey: QBBJSFUFEUXTNU-UHFFFAOYAP