Basic information
- CAS
54997-93-2- Standard SMILES
Cc1ncc(C[n+]2ccccc2)c(N)n1- InChIKey
SPQICHFDXHERAC-UHFFFAOYSA-N- Molecular formula
- C11H13N4+
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.11402143
Overview
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium is a pyridinium salt and an aminopyrimidine.
Names & identifiers
- Preferred name
- 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridinium
- IUPAC
- 2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-amine
Names & synonyms
Heteropyrithiamine1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-amineC02691CBDivE_01484854997-93-21-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]pyridiniumCHEBI:112221-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridin-1-iumDTXSID501219241Q27108881
Database identifiers
- CAS
54997-93-2- PubChem CID
- 439786
- DTXSID
DTXSID501219241- ChEBI
CHEBI:11222- Nikkaji
- J2.739.420E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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