Basic information
- CAS
1337962-43-2- Standard SMILES
Nc1nc(-n2cccn2)nc(Cl)c1Br- InChIKey
OIODDLORQJOJHH-UHFFFAOYSA-N- Molecular formula
- C7H5BrClN5
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 272.94168494
Names & identifiers
- Preferred name
- 5-bromo-6-chloro-2-(1H-pyrazol-1-yl)pyrimidin-4-amine
- IUPAC
- 5-bromo-6-chloro-2-pyrazol-1-ylpyrimidin-4-amine
- English name
- 5-Bromo-6-chloro-2-(1H-pyrazol-1-yl)pyrimidin-4-amine(WXG02982)
- Molecular formula
- C7H5BrClN5
- Molecular weight
- 274.51
Names & synonyms
5-bromo-6-chloro-2-(1H-pyrazol-1-yl)pyrimidin-4-amine1337962-43-25-bromo-6-chloro-2-pyrazol-1-ylpyrimidin-4-amineSCHEMBL2551552SCHEMBL30487821OIODDLORQJOJHH-UHFFFAOYSA-NDTXSID601213858MDC96243EN300-2604175-Bromo-6-chloro-2-(1H-pyrazol-1-yl)-4-pyrimidinamine5-bromo-6-chloro-2-(1H-pyrazol-1-yl)pyrimidine-4-amine4-Pyrimidinamine, 5-bromo-6-chloro-2-(1H-pyrazol-1-yl)-
Show more names
5-Bromo-6-chloro-2-(1H-pyrazol-1-yl)pyrimidin-4-amine(WXG02982)
Database identifiers
- CAS
1337962-43-2- PubChem CID
- 86677017
- DTXSID
DTXSID601213858
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 511.1 · 511.1±60.0 °C(Predicted)
- Density
- 2.08 · 2.08±0.1 g/cm3(Predicted)
- pka
- -1.84 · -1.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
4 records
Compound notes
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