5,6-Dimethoxypyrimidin-4-amine

HCID 78722

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5018-45-1
Standard SMILES: COc1ncnc(N)c1OC
InChIKey: OBYHDGNNFIOYSU-UHFFFAOYSA-N
Molecular formula: C6H9N3O2
Average molar mass: 155.15 g/mol
Monoisotopic mass: 155.06947654

Names & identifiers

Preferred name: 5,6-Dimethoxypyrimidin-4-amine
IUPAC: 5,6-dimethoxypyrimidin-4-amine
English name: 5,6-Dimethoxypyrimidin-4-ylamine
Molecular formula: C6H9N3O2
Molecular weight: 155.15

Names & synonyms

4-Amino-5,6-dimethoxypyrimidine5018-45-15,6-Dimethoxypyrimidin-4-amineEINECS 225-701-0DTXSID60198230RefChem:528088DTXCID90120721225-701-05,6-Dimethoxypyrimidin-4-ylamineMFCD077874274-Pyrimidinamine, 5,6-dimethoxy-MLS006010118

Show more names

4-Amino-5,6-dimethoxy pyrimide5,6-Dimethoxy-4-pyrimidinamine4-Amino-5,6-Dimethoxy Pyrimidin5,6-dimethoxy-4-aminopyrimidine4-AMINO-5,6-DIMETHOXY PYRIMIDINE5,6-Dimethoxypyrimidin-4-ylamine ISO 9001：2015 REACHSulfadoxine Impurity 1 (5,6-Dimethoxypyrimidin-4-Amine)

SCHEMBL62334054-Amino-56-dimethoxypyrimidineAKOS006284699GS-6584SB577835,6-Dimethoxypyrimidin-4-ylamine; 5,6-Dimethoxy-4-pyrimidinamineAMY11007OBYHDGNNFIOYSU-UHFFFAOYSA-N

Database identifiers

CAS: 5018-45-1
PubChem CID: 78722
DTXSID: DTXSID60198230
EC Number: 225-701-0
Nikkaji: J203.250C

Properties

Computed structural properties

XLogP: 0.1
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: 88 · 88-89 °C
Boiling point: 292.5 · 292.5±35.0 °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: DMSO, Methanol
form: Solid
pka: 3.32 · 3.32±0.10(Predicted)
color: Off-White
CAS DataBase Reference: 5018 · 5018-45-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933599590 · 2933599590

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 ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Amino-5,6-dimethoxypyrimidine is a Sulfadoxine (S699070) impurity . Sulfadoxine is used as an antibacterial agent.

Suppliers72 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…