Icotidine
Basic information
- CAS
71351-79-6- Standard SMILES
COc1cccnc1CCCCNc1ncc(Cc2ccc(C)nc2)c(=O)[nH]1- InChIKey
GJCSPRIRQYWXRW-UHFFFAOYSA-N- Molecular formula
- C21H25N5O2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.20082506
Overview
Icotidine is a pyrimidone.
Names & identifiers
- Preferred name
- Icotidine
- IUPAC
- 2-[4-(3-methoxy-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
- English name
- Icotidine
- Molecular weight
- 0
Names & synonyms
Icotidine71351-79-6SK&F 9331925Y9G9575KSK&F-93319DTXSID40221555SKF 93319RefChem:147673DTXCID70144046Icotidine [USAN]2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one2-((4-(3-Methoxypyridin-2-yl)butyl)amino)-5-((6-methylpyridin-3-yl)methyl)pyrimidin-4(3H)-one
Show more names
2-[4-(3-Methoxy-2-pyridyl)butylamino]-5-(6-methyl-3-pyridylmethyl)pyrimidine-4(3H)-one2-[[4-(3-Methoxy-2-pyridyl)butyl]amino]-5-[(2-methyl-5-pyridyl)methyl]-4(1H)-pyrimidinone2-[[4-(3-Methoxy-2-pyridinyl)butyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4(1H)-one
Icotidine (USAN)2-((4-(3-Methoxy-2-pyridyl)butyl)amino)-5-((6-methyl-3-pyridyl)methyl)-4(1H)-pyrimidinone4(1H)-Pyrimidinone, 2-((4-(3-methoxy-2-pyridinyl)butyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-UNII-25Y9G9575K2-[[4-(3-Methoxy-2-pyridyl)butyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-4(1H)-pyrimidinone2-{[4-(3-Methoxypyridin-2-yl)butyl]amino}-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-4(3H)-oneSCHEMBL144915CHEMBL145087
Database identifiers
- CAS
71351-79-6- PubChem CID
- 72108
- DTXSID
DTXSID40221555- ChEMBL
CHEMBL145087- ChEBI
CHEBI:177603- UNII
- 25Y9G9575K
- Nikkaji
- J370.122K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Experimental & physicochemical properties
LogP2.58
Physicochemical properties
- FDA UNII
- 25 Y9G9575K · 25Y9G9575K
Chemistry & industry
Applications
UsesAntagonist (to histamine H2 and H1 receptors).
Additional notes
DefinitionChEBI: Icotidine is a pyrimidone.
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Related reactions
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Compound notes
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