4,6-Dimethylpyrimidin-2-ol
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Basic information
- CAS
108-79-2- Standard SMILES
Cc1cc(C)[nH]c(=O)n1- InChIKey
WHEQVHAIRSPYDK-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.143 g/mol
- Monoisotopic mass
- 124.06366288
Names & identifiers
- Preferred name
- 4,6-Dimethylpyrimidin-2-ol
- IUPAC
- 4,6-Dimethylpyrimidin-2(1H)-one
- English name
- 4,6-Dimethyl-2-hydroxypyrimidine
- Molecular formula
- C6H8N2O
- Molecular weight
- 124.14
Names & synonyms
4,6-DIMETHYLPYRIMIDIN-2-OL2-HYDROXY-4,6-DIMETHYLPYRIMIDINE4,6-Dimethyl-2-pyrimidone4,6-dimethyl-1,2-dihydro-2-pyrimidoneTIMTEC-BB SBB0042714,6-Dimethyl-2-pyrimidol4,6-DIMETHYL-2-PYRIMIDINOL4,6-Dimethyl-2-pyrimidinone4,6-Dimethyl-2(1H)-pyrimidone4,6-dimethyl-2(1h)-pyrimidinon
Database identifiers
- CAS
108-79-2- PubChem CID
- 9508
- DTXSID
DTXSID5043762- ChEMBL
CHEMBL3706457- UNII
- HG0CBN4V9F
- EC Number
- 203-617-5
- Nikkaji
- J27.912I
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 201 · 201-205 °C
- Boiling point
- 230.92 °C · 230.92°C (rough estimate)
- Density
- 1.1683 · 1.1683 (rough estimate)
- refractive index
- 1.5378 · 1.5378 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.34 · 10.34±0.10(Predicted)
- form
- Solid
- color
- Off-White to Pale Yellow
- CAS DataBase Reference
- 108 · 108-79-2(CAS DataBase Reference)
- FDA UNII
- 0 CBN4V9F · HG0CBN4V9F
- NIST Chemistry Reference
- 4 · 4,6-Dimethyl-2-pyrimidinol(108-79-2)
- EPA Substance Registry System
- 2 · 2(1H)-Pyrimidinone, 4,6-dimethyl- (108-79-2)
- Symbol(GHS)
- 7 · GHS07
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 Classification
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Warning
H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.；There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-
Regulation (EC) No 1831/2003 (amended)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)
Regulatory information
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information2(1H)-Pyrimidinone, 4,6-dimethyl-: INACTIVE
Applications
Description4,6-Dimethyl-2-hydroxypyrimidine (4,6-DHP) is a synthetic pyrimidine analogue classified as a functional nutritional compound[6]. The hydrochloride salt serves as a precursor for synthesizing 4,6-dimethyl-2-chloropyrimidine via reaction with phosphorus oxychloride[4]. It acts as a ligand in coordination chemistry, reacting with copper(II) perchlorate in aqueous ammonia to form [(NH3)2Cu(dmpymo)](ClO4)·2H2O, and with palladium complexes to yield [(dach)Pd(2-dmpymo)]4(NO3)4[5][7].
Uses4,6-Dimethyl-2-hydroxypyrimidine is a component of Nicarbazine (N394530), a coccidiostat, which is an antiprotozoal agent that acts upon Coccidia parasites.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
24 records
Compound notes
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