2,6-Dimethoxy-4-aminopyrimidine (HCID 76789)

Names & identifiers

Preferred name: 2,6-Dimethoxy-4-aminopyrimidine
IUPAC: 2,6-dimethoxypyrimidin-4-amine
English name: 4-Amino-2,6-dimethoxypyrimidine
Molecular formula: C6H9N3O2
Molecular weight: 155.15

Names & synonyms

4-Amino-2,6-dimethoxypyrimidine3289-50-72,6-Dimethoxypyrimidin-4-amine4-Pyrimidinamine, 2,6-dimethoxy-6-Amino-2,4-dimethoxypyrimidine2,6-Dimethoxy-4-pyrimidinamine2,6-Dimethoxy-4-aminopyrimidinePyrimidine, 4-amino-2,6-dimethoxy-LSF4SEX5LPEINECS 221-946-2NSC 166290NSC-166290

Show more names

I4-AMino-2,6-DiMethoxy PyriMidine4-Amino-2,6-dimethoxy2,6-dimethoxy-4-pyrimidinamin2,6-dimethoxypyrimidin-4-aminSulfadimethoxine EP Impurity A4-amino-2,6-dlmethoxypyrimidine4-Amino-4,6-dimethoxypyrimidine

DTXSID2062959(2,6-DIMETHOXYPYRIMIDIN-4-YL)AMINESULFADIMETHOXINE IMPURITY A [EP IMPURITY]SULFADIMETHOXINE SODIUM FOR VETERINARY USE IMPURITY A [EP IMPURITY]SULFADIMETHOXINE IMPURITY A (EP IMPURITY)SULFADIMETHOXINE SODIUM FOR VETERINARY USE IMPURITY A (EP IMPURITY)RefChem:445615DTXCID2038601

Database identifiers

CAS: 3289-50-7
PubChem CID: 76789
DTXSID: DTXSID2062959
UNII: LSF4SEX5LP
EC Number: 221-946-2
Nikkaji: J38.378C

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 70.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 149 · 149-152 °C (lit.)
Boiling point: 340.1 · 340.1±45.0 °C(Predicted)
Density: 1.229 · 1.229±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: 25 mg/mL, · methanol: soluble25mg/mL, clear, colorless to yellow
pka: 3.35 · 3.35±0.10(Predicted)
form: Crystalline
color: White
InChI: InChI=1S/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
InChIKey: LNTJJKHTAZFVJJ-UHFFFAOYSA-N
SMILES: C1(OC)=NC(OC)=CC(N)=N1
CAS DataBase Reference: 3289 · 3289-50-7(CAS DataBase Reference)
FDA UNII: 4 SEX5LP · LSF4SEX5LP
EPA Substance Registry System: 4 · 4-Pyrimidinamine, 2,6-dimethoxy- (3289-50-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information4-Pyrimidinamine, 2,6-dimethoxy-: INACTIVE

Applications · 3 items

Uses4-Amino-2,6-dimethoxypyrimidine is a compound that may be polychlorinated. It is also (Sulfadimethoxine EP Impurity A) is an impurity of Sulfadimethoxine, an antibacterial agents that is an emerging contaminant of concern.

Uses4-Amino-2,6-dimethoxypyrimidine is a compound that may be polychlorinated (1). It is also (Sulfadimethoxine EP Impurity A) is an impurity of Sulfadimethoxine (S699060), an antibacterial agents that is an emerging contaminant of concern (2).

General Description4-Amino-2,6-dimethoxypyrimidine is methoxy substituted 4-aminopyrimidine. Molecules of 4-amino-2,6-dimethoxypyrimidine are linked by an N-H.O hydrogen bond and an N-H.N hydrogen bond, forming sheets containing centrosymmetric rings. Photocatalytic degradation of 4-amino-2,6-dimethoxypyrimidine on TiO2 has been reported. Mass spectra of 4-amino-2,6-dimethoxypyrimidine has been studied.