Basic information
- CAS
36315-01-2- Standard SMILES
COc1cc(OC)nc(N)n1- InChIKey
LVFRCHIUUKWBLR-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947653
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Amino-4,6-dimethoxypyrimidine
- IUPAC
- 4,6-dimethoxypyrimidin-2-amine
- English name
- 2-Amino-4,6-dimethoxypyrimidine
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
2-Amino-4,6-dimethoxypyrimidine36315-01-24,6-Dimethoxypyrimidin-2-amine2-Pyrimidinamine, 4,6-dimethoxy-8B9760951KAE-F 092944J 290J-290RefChem:85165252-969-6MFCD000388324,6-Dimethoxy-2-pyrimidinamine
Show more names
ADMP6-diMethoxypyriMidine4,6-dime2-AMino-4.6-diBUTTPARK 97\12-85TIMTEC-BB SBB0069322-Amino-4,6-dimethox
4,6-dimethoxy-2- aminopyrimidine4,6-dimethoxy-2-aminopyrimidine4,6-Dimethoxy-pyrimidin-2-ylamineF0084-00244,6-dimethoxypyrimidine-2-ylamineMaybridge1_002259ulfonylurea TP1ulfosulfuron TP3
Database identifiers
- CAS
36315-01-2- PubChem CID
- 118946
- DTXSID
DTXSID1074620- UNII
- 8B9760951K
- EC Number
- 252-969-6
- Nikkaji
- J235.997I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 94 · 94-96 °C (lit.)
- Boiling point
- 278.95 °C · 278.95°C (rough estimate)
- Density
- 1.3092 · 1.3092 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.02 · 4.02±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
- InChIKey
- LVFRCHIUUKWBLR-UHFFFAOYSA-N
- SMILES
- C1(N)=NC(OC)=CC(OC)=N1
- CAS DataBase Reference
- 36315 · 36315-01-2(CAS DataBase Reference)
- FDA UNII
- 8 B9760951K · 8B9760951K
- EPA Substance Registry System
- 2 · 2-Pyrimidinamine, 4,6-dimethoxy- (36315-01-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335
- Precautionary statements
- 261 · P261-P271-P304+P340+P312-P403+P233-P405-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29335995 · 29335995
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 5.3% (11 of 206) of reports.
Warning
H302+H312+H332 (13.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 206 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation No 844/2012
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 27-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20424
Hazard Classes and CategoriesAcute Tox. 4 (20.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29335995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P271-P304+P340+P312-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information2-Pyrimidinamine, 4,6-dimethoxy-: ACTIVE
Applications
Uses2-Amino-4,6-dimethoxypyrimidine is a building block for various chemical synthesis. Attributes PIS available on request. Please contact us. Contact
Uses2-Amino-4,6-dimethoxypyrimidine is suitable for use in the preparation of cocrystal 2-amino-4,6-dimethoxypyrimidine-anthranilic acid (1/1).
General Description2-Amino-4,6-dimethoxypyrimidine is identified as degradation product of sulfosulphuron in agricultural soil by ESI LC-MS/MS analysis. It was isolated as metabolite during the biodegradation of bensulphuron-methyl by Penicillium pinophilum by liquid chromatography-mass spectrometry. The FTIR and FT-Raman spectra of 2-amino-4,6-dimethoxypyrimidine has been reported. Hydrogen bonding in the molecules of 2-amino-4,6-di-methoxy-pyrimidine has been investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
191 records
Compound notes
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