Basic information
- CAS
34289-60-6- Standard SMILES
Cc1cc(C)[nH]c(=O)n1.Cl- InChIKey
IFXXETYYSLJRNF-UHFFFAOYSA-N- Molecular formula
- C6H8N2O.ClH
- Average molar mass
- 160.6 g/mol
- Monoisotopic mass
- 160.04034059
Names & identifiers
- Preferred name
- 4,6-Dimethyl-2(1H)-pyrimidinone hydrochloride
- IUPAC
- 4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
- English name
- 4,6-Dimethyl-2-hydroxypyrimidine hydrochloride
- Molecular formula
- C6H9ClN2O
- Molecular weight
- 160.6
Names & synonyms
34289-60-64,6-dimethylpyrimidin-2-ol hydrochloride2-Hydroxy-4,6-dimethylpyrimidine hydrochloride4,6-Dimethyl-2(1H)-pyrimidinone hydrochloride4,6-Dimethyl-1H-pyrimidin-2-one hydrochlorideNSC-2030EINECS 251-919-0954294M54SNSC 20302(1H)-Pyrimidinone, 4,6-dimethyl-, monohydrochloride2-PYRIMIDINOL, 4,6-DIMETHYL-, HYDROCHLORIDE2(1H)-PYRIMIDINONE, 4,6-DIMETHYL-, HYDROCHLORIDE (1:1)
Show more names
4,6-Dimethyl-2-Hydroxypyrimid4,6-Dimethyl-2-hydroxypyrimidineHCl4,6-Dimethyl-1H-pyrimidin-2-one HCl2-Hydroxy-4,6-dimethylpyrimidine hyd4,6-DIMETHYL-2-PYRIMIDINOL HYDROCHLORIDE4,6-Dimethyl-2-Hydroxyrimidine Hydrochloride
RefChem:5081154,6-Dimethyl-2-hydroxypyrimidine hydrochlorideMFCD000353124,6-dimethyl-1H-pyrimidin-2-one;hydrochloride4,6-Dimethyl-2-hydroxypyrimidine HCl4,6-dimethyl-3-hydropyrimidin-2-one, chloride4,6-Dimethyl-2(1H)-pyrimidinone-13C,15N2HydrochlorideUNII-954294M54S
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 260 °C · 260 °C (dec.) (lit.)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Aqueous Base (Slightly), Methanol (Very Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- 1S/C6H8N2O.ClH/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);1H
- InChIKey
- IFXXETYYSLJRNF-UHFFFAOYSA-N
- SMILES
- Cl.Cc1cc(C)nc(O)n1
- CAS DataBase Reference
- 34289 · 34289-60-6(CAS DataBase Reference)
- FDA UNII
- 954294 M54S · 954294M54S
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety & regulation
GHS classification
GHS Classification
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-, monohydrochloride
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Hydroxy-4,6-dimethylpyrimidine hydrochloride was employed in the stereoselective synthesis of meso-N,N′-dicarbethoxy-2,4-diaminopentane and meso-2,4-diaminopentane.
Uses4,6-DiMethyl-2-hydroxypyriMidine Hydrochloride can be used in the preparation of indolizine compounds for use in antifungal combination therapy.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers68 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Related reactions
2 records
Compound notes
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