6-(Chloromethyl)-2-(pyrazin-2-YL)pyrimidin-4-OL
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Basic information
- CAS
955887-08-8- Standard SMILES
O=c1cc(CCl)nc(-c2cnccn2)[nH]1- InChIKey
LXKYVWIIKAXRNR-UHFFFAOYSA-N- Molecular formula
- C9H7ClN4O
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0308386
Names & identifiers
- Preferred name
- 6-(Chloromethyl)-2-(pyrazin-2-YL)pyrimidin-4-OL
- IUPAC
- 4-(chloromethyl)-2-pyrazin-2-yl-1H-pyrimidin-6-one
- English name
- 6-chloromethyl-2-pyrazin-2-yl-pyrimidin-4-ol
- Molecular formula
- C9H7ClN4O
- Molecular weight
- 222.63
Names & synonyms
6-(CHLOROMETHYL)-2-(PYRAZIN-2-YL)PYRIMIDIN-4-OL955887-08-84-(chloromethyl)-2-pyrazin-2-yl-1H-pyrimidin-6-oneSCHEMBL643592DTXSID80677830LXKYVWIIKAXRNR-UHFFFAOYSA-NAKOS012682632AKOS015850578DB-0136856-(chloromethyl)-2-pyrazin-2-yl-1H-pyrimidin-4-one6-(Chloromethyl)-2-(pyrazin-2-yl)pyrimidin-4(1H)-one6-(Chloromethyl)-2-(2-pyrazinyl)-4(3H)-pyrimidinone, AldrichCPR
Show more names
6-chloromethyl-2-pyrazin-2-yl-pyrimidin-4-ol6-(Chloromethyl)-2-(2-pyrazinyl)-4(3H)-pyrimidinone4(3H)-Pyrimidinone, 6-(chloromethyl)-2-(2-pyrazinyl)-
Database identifiers
- CAS
955887-08-8- PubChem CID
- 135962864
- DTXSID
DTXSID80677830
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 383.1 · 383.1±52.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 5.32 · 5.32±0.50(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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