Formula |
C14H14ClFN8 |
IUPAC Name |
5-chloro-n2-[(1s)-1-(5-fluoropyrimidine-1,3-diium-5-id-2-yl)ethyl]-n4-(5-methylpyrazol-1-ium-2-id-3-yl)pyrimidine-1,3-diium-5-ide-2,4-diamine |
Molecular Mass |
348.766 g·mol−1 |
Heat of Formation |
274.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.95 ± 1.08 D |
Volume |
388.68 Å 3 |
Surface Area |
315.9 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
2.28 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-chloro-n-[(1s)-1-(5-fluoro-2-pyrimidinyl)ethyl]-n'-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
- 5-chloro-n-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n'-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
- [5-chloro-4-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]amine
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InChIKey |
PDOQBOJDRPLBQU-QMMMGPOBSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
N
F
C
Cl
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