N-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine
Basic information
- CAS
444731-74-2- Standard SMILES
Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C- InChIKey
SCUMWVJJSLLWHQ-UHFFFAOYSA-N- Molecular formula
- C13H12ClN5
- Average molar mass
- 273.72 g/mol
- Monoisotopic mass
- 273.0781231
Names & identifiers
- Preferred name
- N-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine
- IUPAC
- N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
- English name
- N-(2-Chloropyrimidin-4-YL)-2,3-dimethyl-2H-indazol-6-amine
- Molecular formula
- C13H12ClN5
- Molecular weight
- 273.72
Names & synonyms
444731-74-2N-(2-CHLOROPYRIMIDIN-4-YL)-2,3-DIMETHYL-2H-INDAZOL-6-AMINEN-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-2H-Indazol-6-amineDTXSID50469840RefChem:825163DTXCID50420658810-051-86-[N-(2-chloropyrimidin-4-yl)amino]-2,3-dimethyl-2H-indazoleN-(2-CHLOROPYRIMIDIN-4-YL)-2,3-DIMETHYLINDAZOL-6-AMINEMFCD17014818N-(2-chloropyriMidin-4-yl)-2,3-diMethyl-2H- indazol-6-aMinePazopanib related; GW 790323X
Show more names
BNKY007-PZ01Pazopanib Impurity 20Pazopanil impurity 122H-indazol-6aMine,2,3-diMethyl.HCl(1:1)N-(2-chloropyrimidin-4-yl)-N,2,3-dimethyl-2H-indazol -6-amine
6-(N-(2-CHLOROPYRIMIDIN-4-YL)AMINO)-2,3-DIMETHYL-2H-INDAZOLESCUMWVJJSLLWHQ-UHFFFAOYSA-NPazopanib?Impurity 49YT24FD2GGSCHEMBL588939N-(2-chloropyrimidin-4-yl)-2,3-dimethyl-indazol-6-amine2H-Indazol-6-amine, N-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-CS-B0768
Database identifiers
- CAS
444731-74-2- PubChem CID
- 11637631
- DTXSID
DTXSID50469840- UNII
- 9YT24FD2GG
- EC Number
- 810-051-8
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 216 oC · >216oC (dec.)
- Boiling point
- 550 · 550.0±35.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.56 · 2.56±0.30(Predicted)
- color
- Pale Orange to Light Brown
- Stability
- Hygroscopic
- InChI
- InChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17)
- InChIKey
- SCUMWVJJSLLWHQ-UHFFFAOYSA-N
- SMILES
- N1=C2C(C=CC(NC3C=CN=C(Cl)N=3)=C2)=C(C)N1C
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: N-(2-chloropyrimidin-4-yl)-2,3-dimethyl-2H-indazol-6-amine (EC: 810-051-8)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesN-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine (N-(2-Chloropyrimidin-4-YL)-2,3-dimethyl-2H-indazol-6-amine) is an impurity of Pazopanib (P210925), an oral angiogenesis inhibitor targeting VEGFR and PDGFR.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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