4-Bromo-2-(methylamino)pyrimidine - CAS 1209458-16-1
Catalog: |
BB005000 |
Product Name: |
4-Bromo-2-(methylamino)pyrimidine |
CAS: |
1209458-16-1 |
Synonyms: |
4-bromo-N-methyl-2-pyrimidinamine; 4-bromo-N-methylpyrimidin-2-amine |
IUPAC Name: | 4-bromo-N-methylpyrimidin-2-amine |
Description: | 4-Bromo-2-(methylamino)pyrimidine (CAS# 1209458-16-1) is a useful reactant for organic reactions and synthesis. |
Molecular Weight: | 188.03 |
Molecular Formula: | C5H6BrN3 |
Canonical SMILES: | CNC1=NC=CC(=N1)Br |
InChI: | InChI=1S/C5H6BrN3/c1-7-5-8-3-2-4(6)9-5/h2-3H,1H3,(H,7,8,9) |
InChI Key: | ZODAKPDTWGOEAC-UHFFFAOYSA-N |
MDL: | MFCD13193672 |
LogP: | 1.35380 |
Publication Number | Title | Priority Date |
US-10316038-B2 | Pyrrolopyrimidine ITK inhibitors for treating inflammation and cancer | 20170125 |
US-2018208594-A1 | Pyrrolopyrimidine itk inhibitors for treating inflammation and cancer | 20170125 |
US-2019352300-A1 | Pyrrolopyrimidine itk inhibitors for treating inflammation and cancer | 20170125 |
WO-2018140648-A1 | Pyrrolopyrimidine itk inhibitors for treating inflammation and cancer | 20170125 |
CN-109689647-A | The compound that bicyclic heteroaryl replaces | 20160714 |
Complexity: | 88.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Amines and Anilines
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