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5-METHYLPYRIMIDIN-4-OL

5-METHYLPYRIMIDIN-4-OL structure

CAS No:
17758-52-0
Formula:
C5H6N2O
Chemical Name:
5-METHYLPYRIMIDIN-4-OL
Synonyms:
5-METHYLPYRIMIDIN-4-OL;5-methyl-4-pyrimidino;4-Hydroxy-5-methylpyrimidine;4(1H)-Pyrimidinone, 5-methyl- (9CI);5-Methyl-4-hydroxypyrimidine;5-Methyl-3H-pyrimidin-4-one;4(3H)-Pyrimidinone,5-methyl-;5-methylpyrimidin-4(3H)-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-METHYLPYRIMIDIN-4-OL Basic Attributes

Molecular Weight：

110.11

Exact Mass：

110.048012

NSC Number：

618281

DSSTox ID：

DTXSID90170347

Characteristics

PSA：

41.5

XLogP3：

-0.3

Density：

1.22±0.1 g/cm3(Predicted)

Melting Point：

153-154 °C

Boiling Point：

192.1°C at 760 mmHg

Flash Point：

92.7±21.8 °C

Refractive Index：

1.557

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

5-METHYLPYRIMIDIN-4-OL Use and Manufacturing

To a suspension of 4-hydroxy-2-mercapto-5-methylpyrimidine (1.0 g, 7.0 mmol) in water (50 mL) and ammonia (3 mL) was added a suspension of Raney Nickel in water (20 mL). The mixture was heated at reflux for 16 h, then hot filtered through celite (10 g) and washed with water (3 * 25 ml_). The filtrate was evaporated and the resultant solid was azeotroped with toluene (2 x 50 ml.) to furnish a white solid (0.75 g, 97percent).

Computed Properties

Molecular Weight:110.11
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:110.048012819
Monoisotopic Mass:110.048012819
Topological Polar Surface Area:41.5
Heavy Atom Count:8
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes