Formula |
C10H8N6O2 |
IUPAC Name |
4-[2-(1-methyl-5-nitroimidazol-2-yl)ethynyl]pyrimidin-2-amine |
Molecular Mass |
244.210 g·mol−1 |
Heat of Formation |
1643.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.54 ± 1.08 D |
Volume |
264.4 Å 3 |
Surface Area |
263.22 Å 2 |
HOMO Energy |
-10.81 ± 0.55 eV |
LUMO Energy |
-3.27 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-amino-4-(2-ethynyl-1-methyl-5-nitroimidazole)pyrimidine
- 2-pyrimidinamine, 4-((1-methyl-5-nitro-1h-imidazol-2-yl)ethynyl)-
- 4-[2-(1-methyl-5-nitro-2-imidazolyl)ethynyl]-2-pyrimidinamine
- 4-[2-(1-methyl-5-nitro-imidazol-2-yl)ethynyl]pyrimidin-2-amine
- 4-[2-(1-methyl-5-nitroimidazol-2-yl)ethynyl]pyrimidin-2-amine
- [4-[2-(1-methyl-5-nitro-imidazol-2-yl)ethynyl]pyrimidin-2-yl]amine
- f 4
- f-4
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CAS Number(s) |
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InChIKey |
QUTHCURCAWPHIN-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
O
N
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