Products Categories
| CAS No.: | 641569-97-3 |
|---|---|
| Name: | 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C19H18N4O2 |
| Molecular Weight: | 334.378 |
| Synonyms: | 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoicacid ethyl ester;Ethyl 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoate; |
| Density: | 1.233 g/cm3 |
| Boiling Point: | 546.1 °C at 760 mmHg |
| Flash Point: | 284.1 °C |
| PSA: | 77.00000 |
| LogP: | 3.84030 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
What can I do for you?
Get Best Price
Specification
The systematic name of 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester is Ethyl 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoate. With the CAS registry number 641569-97-3, it is also named as Benzoic acid,4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, ethyl ester. In addition, its molecular formula is C19H18N4O2 and its molecular weight is 334.37.
The other characteristics of 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester can be summarized as: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 368.66; (6)ACD/BCF (pH 7.4): 369.17; (7)ACD/KOC (pH 5.5): 2391.26; (8)ACD/KOC (pH 7.4): 2394.55; (9)H bond acceptors: 6; (10)H bond donors: 1; (11)Freely Rotating Bonds: 5; (12)Polar Surface Area: 77 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 95.72 cm3; (15)Molar Volume: 271.1 cm3; (16)Polarizability: 37.94×10-24cm3; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 284.1 °C; (20)Enthalpy of Vaporization: 82.51 kJ/mol; (21)Boiling Point: 546.1 °C at 760 mmHg; (22)Vapour Pressure: 5.54E-12 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:CCOC(=O)c1ccc(c(c1)Nc2nccc(n2)c3cccnc3)C
(2)InChI:InChI=1/C19H18N4O2/c1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15/h4-12H,3H2,1-2H3,(H,21,22,23)
(3)InChIKey:SYTLMFJJRMLMIO-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C19H18N4O2/c1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15/h4-12H,3H2,1-2H3,(H,21,22,23)
(5)Std. InChIKey:SYTLMFJJRMLMIO-UHFFFAOYSA-N