Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate

HCID 293750

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Basic information

CAS: 53135-24-3
Standard SMILES: CCOC(=O)c1cnc(C)[nH]c1=O
InChIKey: KTZQDIINDVWLES-UHFFFAOYSA-N
Molecular formula: C8H10N2O3
Average molar mass: 182.18 g/mol
Monoisotopic mass: 182.06914218

Names & identifiers

Preferred name: Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
IUPAC: ethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
English name: 4-Hydroxy-2-methyl-pyrimidine-5-carboxylic acid ethyl ester
Molecular formula: C8H10N2O3
Molecular weight: 182.18

Names & synonyms

ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylateDTXSID90967658RefChem:595431DTXCID501395253992-346-253135-24-367383-32-84-Hydroxy-2-methyl-pyrimidine-5-carboxylic acid ethyl esterethyl 2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylateethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylateMFCD00223606ethyl 4-hydroxy-2-methyl-5-pyrimidinecarboxylate

Show more names

3-Oxetanol,7-ethynyl-4-Hydroxy-2-methyl-pyrimidine-5-cBenzene,1-(3-bromopropyl)-9-chloro-Ethyl 2-methyl-4-hydroxy-5-pyrimidinecarboxylateEthyl4-hydroxy-2-methylpyrimidine-5-carboxylate,97%Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate?New

AURORA KA-69134-Hydroxy-2-methylpyrimidine-5-carboxylic acidethyl esterMFCD07656562NSC1608743-Hydroxy-2-methylpyrimidine-5-carboxylicMaybridge3_007585ethyl 4-hydroxy-2-methyl-pyrimidine-5-carboxylateSCHEMBL959574

Database identifiers

CAS: 53135-24-3、67383-32-8
PubChem CID: 293750
DTXSID: DTXSID90967658
EC Number: 675-654-9、992-346-2

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 67.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 305

Physicochemical properties

Melting point: 191 · 191-194°C
Density: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: Solid
pka: 8.11 · 8.11±0.50(Predicted)
Appearance: Off-white to light yellow Solid
CAS DataBase Reference: 53135 · 53135-24-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 6 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]