Basic information
- CAS
35059-05-3- Standard SMILES
Cl.c1cncc(C2=NCCCN2)c1- InChIKey
CXDHJGCWMIOAQP-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0719751
Overview
nicotinic agonist
Names & identifiers
- Preferred name
- 2-(3-Pyridyl)-1,4,5,6-tetrahydropyrimidine
- IUPAC
- 2-pyridin-3-yl-1,4,5,6-tetrahydropyrimidine;hydrochloride
- English name
- 2-(3-pyridyl)-1,4,5,6-tetrahydropyrimidine
- Molecular weight
- 0
Names & synonyms
35059-05-32-(3-Pyridyl)-1,4,5,6-tetrahydropyrimidine2-THPRefChem:842732-pyridin-3-yl-1,4,5,6-tetrahydropyrimidine;hydrochlorideDTXSID409564962-(3-Pyridyl)-1,4,5,6-tetrahydropyrimidine hydrochloride2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine--hydrogen chloride (1/1)Pyrimidine, 1,4,5,6-tetrahydro-2-(3-pyridinyl)-, monohydrochloride
Database identifiers
- CAS
35059-05-3- PubChem CID
- 3036268
- DTXSID
DTXSID40956496
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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