Formula |
C22H26ClN7 |
IUPAC Name |
4-[2-[4-(2-aminoethyl)piperazin-1-yl]-4-pyridyl]-n-(3-chloro-4-methyl-phenyl)pyrimidin-2-amine |
Molecular Mass |
423.942 g·mol−1 |
Heat of Formation |
386.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.79 ± 1.08 D |
Volume |
493.5 Å 3 |
Surface Area |
450.59 Å 2 |
HOMO Energy |
-8.53 ± 0.55 eV |
LUMO Energy |
-0.67 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[4-[4-[2-[(3-chloro-4-methyl-phenyl)amino]pyrimidin-4-yl]-2-pyridyl]piperazin-1-yl]ethylamine
- 4-[2-[4-(2-aminoethyl)-1-piperazinyl]-4-pyridyl]-n-(3-chloro-4-methylphenyl)-2-pyrimidinamine
- 4-[2-[4-(2-aminoethyl)piperazin-1-yl]-4-pyridyl]-n-(3-chloro-4-methyl-phenyl)pyrimidin-2-amine
- 4-[2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl]-n-(3-chloro-4-methyl-phenyl)pyrimidin-2-amine
- 4-[2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl]-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine
- 4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine
- wai
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InChIKey |
RHOOHUMOHVIXEF-UHFFFAOYSA-N |
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Elements |
H
C
Cl
N
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