Formula |
C23H22N4O2 |
IUPAC Name |
5-(4-phenoxyphenyl)-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine |
Molecular Mass |
386.446 g·mol−1 |
Heat of Formation |
68.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.88 ± 1.08 D |
Volume |
457.07 Å 3 |
Surface Area |
397.01 Å 2 |
HOMO Energy |
-8.49 ± 0.55 eV |
LUMO Energy |
-0.65 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[4-(phenoxy)phenyl]-7-(4-tetrahydropyranyl)-4-pyrrolo[3,2-e]pyrimidinamine
- 5-[4-(phenoxy)phenyl]-7-tetrahydropyran-4-yl-pyrrolo[3,2-e]pyrimidin-4-amine
- [5-[4-(phenoxy)phenyl]-7-tetrahydropyran-4-yl-pyrrolo[3,2-e]pyrimidin-4-yl]amine
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InChIKey |
BCWVVERKADMJGG-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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