4-Amino-2,6-dimethylpyrimidine - CAS 461-98-3
Catalog: |
BB026098 |
Product Name: |
4-Amino-2,6-dimethylpyrimidine |
CAS: |
461-98-3 |
Synonyms: |
2,6-dimethyl-4-pyrimidinamine; 2,6-dimethylpyrimidin-4-amine |
IUPAC Name: | 2,6-dimethylpyrimidin-4-amine |
Description: | 4-Amino-2,6-dimethylpyrimidine (CAS# 461-98-3) is a compound useful in organic synthesis. |
Molecular Weight: | 123.16 |
Molecular Formula: | C6H9N3 |
Canonical SMILES: | CC1=CC(=NC(=N1)C)N |
InChI: | InChI=1S/C6H9N3/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3,(H2,7,8,9) |
InChI Key: | BJJDXAFKCKSLTE-UHFFFAOYSA-N |
Boiling Point: | 254 °C |
Density: | 1.112 g/cm3 |
MDL: | MFCD00006106 |
LogP: | 1.25680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (83.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
CN-111269215-A | Nitrogen-containing heterocyclic organic compound and preparation method and application thereof | 20200401 |
WO-2021162048-A1 | Curable composition and cured product thereof | 20200213 |
KR-20210068994-A | Heterocyclic compound and organic light emitting device including the same | 20191202 |
EP-3828190-A1 | Organometallic compound, organic light-emitting device including the organometallic compound and electronic apparatus including the organic light-emitting device | 20191127 |
PMID | Publication Date | Title | Journal |
18491934 | 20080619 | Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta | The journal of physical chemistry. B |
17317281 | 20071101 | Stepwise charge transfer complexation of some pyrimidines with sigma-acceptor iodine involving a new unconventional acceptor | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 94.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.0796473 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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