Formula |
C20H20ClN5O2 |
IUPAC Name |
4-(benzylamino)-2-[2-(3-chloro-4-hydroxy-phenyl)ethylamino]pyrimidine-5-carboxamide |
Molecular Mass |
397.858 g·mol−1 |
Heat of Formation |
-126.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.79 ± 1.08 D |
Volume |
465.26 Å 3 |
Surface Area |
366.83 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
-0.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[2-(3-chloro-4-hydroxy-phenyl)ethylamino]-4-(phenylmethylamino)pyrimidine-5-carboxamide
- 2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-4-(phenylmethylamino)-5-pyrimidinecarboxamide
- 2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-4-(phenylmethylamino)pyrimidine-5-carboxamide
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InChIKey |
OZRMEKAUZBKTTC-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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