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696-45-7

696-45-7 Structure

696-45-7 Structure
IdentificationMore
[Name]

4-Amino-6-methoxypyrimidine
[CAS]

696-45-7
[Synonyms]

4-AMINO-6-METHOXYPYRIMIDINE
6-METHOXY-4-PYRIMIDINAMINE
6-METHOXYPYRIMIDIN-4-AMINE
6-METHOXY-PYRIMIDIN-4-YLAMINE
TIMTEC-BB SBB004268
4-Pyrimidinamine, 6-methoxy-(9CI)
6-Methoxypyrimidine-4-amine
4-Amino-6-methyloxypyrimidine
[EINECS(EC#)]

626-150-2
[Molecular Formula]

C5H7N3O
[MDL Number]

MFCD00129983
[Molecular Weight]

125.13
[MOL File]

696-45-7.mol
Chemical PropertiesBack Directory
[Appearance]

White to yellow powder.
[Melting point ]

157-160 °C (lit.)
[Boiling point ]

232.57°C (rough estimate)
[density ]

1.2602 (rough estimate)
[refractive index ]

1.6190 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO, Methanol
[form ]

Crystalline Powder
[pka]

4.11±0.10(Predicted)
[color ]

White to yellow
[InChI]

1S/C5H7N3O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)
[InChIKey]

VELRBZDRGTVGGT-UHFFFAOYSA-N
[SMILES]

COc1cc(N)ncn1
[CAS DataBase Reference]

696-45-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R21/22:Harmful in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Methanol-->Phosphorus oxitrichloride-->Nitrogen-->Formamide-->Trichloroethylene-->4-Amino-6-chloropyrimidine
Hazard InformationBack Directory
[Chemical Properties]

White to yellow powder.
[Uses]

6-Methoxy-4-pyrimidinamine is used in the synthesis of carbamothiolacrylamides as selective EP2 antagonists in the treatment of neurodegenerative peripheral diseases. Also used in the preparation of PARP-1 inhibitors.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 15, p. 1121, 1978 DOI: 10.1002/jhet.5570150710
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-6-methoxypyrimidine(696-45-7)1HNMR
4-Amino-6-methoxypyrimidine(696-45-7)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Amino-6-methoxypyrimidine, 98%(696-45-7)
[Sigma Aldrich]

696-45-7(sigmaaldrich)
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