4,6-Dimethylpyrimidin-2-ol

HCID 9508CAS 108-79-2
Substructure searchFind similar structures

Basic information

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 properties

XLogP
0
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

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)

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 2 items

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

Regulatory Information · 2 items

Chemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-

Regulation (EC) No 1831/2003 (amended)

Safety data

tsca
TSCA listed
hs_code
29335990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information2(1H)-Pyrimidinone, 4,6-dimethyl-: INACTIVE
Applications · 2 items

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

24 records
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Linked notes

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