CAS 461-98-3 2,6-Dimethyl-4-aminopyrimidine (HCID 68039)

Overview

derivatives are tubulin polymerization inhibitors

Names & identifiers

Preferred name: 2,6-Dimethyl-4-aminopyrimidine
IUPAC: 2,6-dimethylpyrimidin-4-amine
English name: 4-AMINO-2,6-DIMETHYLPYRIMIDINE
Molecular formula: C6H9N3
Molecular weight: 123.16

Names & synonyms

2,6-Dimethyl-4-aminopyrimidineRefChem:7943812,6-Dimethylpyrimidin-4-amine461-98-34-Amino-2,6-dimethylpyrimidineKyanmethinCyanmethine6-Amino-2,4-dimethylpyrimidineCyanomethineKyanmethine2,6-Dimethyl-4-pyrimidinamine4-Pyrimidinamine, 2,6-dimethyl-

Show more names

AKOS B029847AKOS BC-07194-Amino-2,6-dimethyLLABOTEST-BB LT000001104-amino-2,6-dimethylpyrimidin

2,4-Dimethyl-6-aminopyrimidine2,6-Dimethyl-4-pyrimidinylamineMFCD000061062,6-Dimethylpyrimidin-4-ylamineUNII-3MM3JQH7MXPyrimidine, 4-amino-2,6-dimethyl-NSC 21637NSC-21637

Database identifiers

CAS: 461-98-3
PubChem CID: 68039
DTXSID: DTXSID50196725
UNII: 3MM3JQH7MX
EC Number: 207-320-1
Nikkaji: J61B

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.3

Experimental & physicochemical properties

LogP0.39

Physicochemical properties

Melting point: 184 · 184-186°C
Boiling point: 254 °C · 254 °C
Density: 1.1097 · 1.1097 (rough estimate)
refractive index: 1.5589 · 1.5589 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO
form: Solid
pka: 7.24 · 7.24±0.10(Predicted)
color: White to Off-White
Water Solubility: 6.4 g/L · 6.4g/L(18 ºC)
Merck: 14 · 14,5326
InChIKey: BJJDXAFKCKSLTE-UHFFFAOYSA-N
CAS DataBase Reference: 461 · 461-98-3(CAS DataBase Reference)
FDA UNII: 3 MM3JQH7MX · 3MM3JQH7MX
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22-22
Safety Statements: 26 · 26-36/37/39-36
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 4-Pyrimidinamine, 2,6-dimethyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (14.3%)

Safety data

hs_code: 29335990
risk_code: 36/37/38-20/21/22-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39-36
Hazard statements: H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

Uses4-AMINO-2,6-DIMETHYLPYRIMIDINE is used as pharmaceutical intermediate. Used in the production of sulfadimethylisopyrimidine. During production, it is condensed with acetaminobenzenesulfonyl chloride (ASC) to give 6-acetaminobenzenesulfonylamino-2,4-dimethylpyrimidine, which is then hydrolyzed to obtain sulfadimethylisopyrimidine.