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934353-76-1

Basic Information
CAS No.: 934353-76-1
Name: 6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1E)-2-phenylethenyl]-4-pyrimidinamine
Molecular Structure:
Molecular Structure of 934353-76-1 (6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1E)-2-phenylethenyl]-4-pyrimidinamine)
Formula: C21H25N7
Molecular Weight: 525.56
Synonyms: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine;4-pyrimidinamine, 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-;6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylvinyl]-4-pyrimidinamine;6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1E)-2-phenylethenyl]-4-pyrimidinamine;
Density: 1.267 g/cm3
Boiling Point: 535 °C at 760 mmHg
Flash Point: 277.4 °C
PSA: 76.20000
LogP: 2.59870
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  • ENMD-2076

  • Casno:

    934353-76-1

    ENMD-2076

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The L-(+)-Tartaric acid, with the CAS registry number 934353-76-1, has the systematic name of 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine. And the molecular formula of the chemical is C21H25N7.

The characteristics of L-(+)-Tartaric acid are as followings: (1)ACD/LogP; 0.64; (2)# of Rule of 5 Violations; 0; (3)ACD/BCF (pH 5.5); 1; (4)ACD/BCF (pH 7.4); 1; (5)ACD/KOC (pH 5.5); 1; (6)ACD/KOC (pH 7.4); 4.09; (7)#H bond acceptors; 7; (8)#H bond donors; 2; (9)#Freely Rotating Bonds; 3; (10)Polar Surface Area; 53.32 Å2; (11)Index of Refraction; 1.704; (12)Molar Refractivity; 115.03 cm3; (13)Molar Volume; 296.2 cm3; (14)Polarizability; 45.6×10-24cm3; (15)Surface Tension; 68.8 dyne/cm; (16)Density; 1.267 g/cm3; (17)Flash Point; 277.4 °C; (18)Enthalpy of Vaporization; 81.14 kJ/mol; (19)Boiling Point; 535 °C at 760 mmHg; (20)Vapour Pressure; 1.6E-11 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2c(N1CCN(C)CC1)cc(nc2\C=C\c3ccccc3)Nc4nnc(c4)C
(2)InChI: InChI=1/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+
(3)InChIKey: BLQYVHBZHAISJM-CMDGGOBGBA