2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol
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![2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/90587b20d4114b18ac915c928df94080.png "2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol")
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol
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CAS No:
5593-78-2
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Formula:
C14H19N4O+
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Chemical Name:
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol
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Synonyms:
Pyrithiamine base;pyrithiamine ion;pyrithiamine cation;UNII-C8K5X0362H;CHEBI:72290;C8K5X0362H;1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium;5593-78-2;1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium;CHEMBL1229798;DTXSID20204528;ZINC902189;1-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methylpyridinium ion;2-Picolinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-;Pyridinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-;C21111;Q27104996;1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium;1-(4-Amino-2-methylpyrimidine-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium
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CAS No:
Description
Pyrithiamine is a pyridinium ion that is 3-(2-hydroxyethyl)-2-methylpyridine substituted at position 1 by a (4-amino-2-methylpyrimidin-5-yl)methyl group.
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol Basic Attributes
259.33 g/mol
259.15588624 g/mol
C8K5X0362H
DTXSID20204528
Computed Properties
Molecular Weight:259.33
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:259.15588624
Monoisotopic Mass:259.15588624
Topological Polar Surface Area:75.9
Heavy Atom Count:19
Formal Charge:1
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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