5-Methyl-4-hydroxypyrimidine supplier

Name
5-METHYLPYRIMIDIN-4-OL
EINECS
CAS No. 17758-52-0
Article Data1
CAS DataBase
Density 1.22g/cm³
Solubility
Melting Point 153-154 °C
Formula C₅H₆N₂O
Boiling Point 192.1°Cat760mmHg
Molecular Weight 110.115
Flash Point 70°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,5-methyl- (9CI);4(3H)-Pyrimidinone, 5-methyl- (6CI);4-Pyrimidinol, 5-methyl-(8CI);4-Hydroxy-5-methylpyrimidine;5-Methyl-4-hydroxypyrimidine;NSC 618281;
PSA 46.01000
LogP 0.49060

5-Methyl-4-hydroxypyrimidine Specification

The 5-Methyl-4-hydroxypyrimidine with the cas number 17758-52-0 is also called 4(3H)-Pyrimidinone,5-methyl-. The IUPAC name is 5-methyl-1H-pyrimidin-6-one. Its molecular formula is C₅H₆N₂O. This chemical is a kind of organics. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3-AA -0.3; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 0; (5)Tautomer Count: 3; (6)Exact Mass: 110.048013; (7)MonoIsotopic Mass: 110.048013; (8)Topological Polar Surface Area: 41.5; (9)Heavy Atom Count: 8; (10)Formal Charge: 0; (11)Complexity: 169; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CN=CNC1=O
(2)InChI: InChI=1S/C5H6N2O/c1-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
(3)InChIKey: SHLJOANTPJWIHS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	213mg/kg (213mg/kg)		Chemical and Pharmaceutical Bulletin. Vol. 11, Pg. 495, 1963.

Product Name

5-METHYLPYRIMIDIN-4-OL

5-Methyl-4-hydroxypyrimidine Specification

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