4-Chloro-2-methoxypyrimidine - CAS 51421-99-9

Catalog:	BB027436
Product Name:	4-Chloro-2-methoxypyrimidine
CAS:	51421-99-9
Synonyms:	4-chloro-2-methoxypyrimidine; 4-chloro-2-methoxypyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2-methoxypyrimidine
Description:	4-Chloro-2-methoxypyrimidine (CAS# 51421-99-9) is a useful research chemical.
Molecular Weight:	144.56
Molecular Formula:	C5H5ClN2O
Canonical SMILES:	COC1=NC=CC(=N1)Cl
InChI:	InChI=1S/C5H5ClN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChI Key:	XCAMEGPUILTZSU-UHFFFAOYSA-N
Boiling Point:	234.507 °C at 760 mmHg
Density:	1.293 g/cm³
MDL:	MFCD09025734
LogP:	1.13860

Publication Number	Title	Priority Date
WO-2021203048-A1	Novel 2-pyrimidone analogs as potent antiviral agents against alphaviruses	20200402
US-2021317106-A1	2-Pyrimidone Analogs as Potent Antiviral Agents Against Alphaviruses	20200325
WO-2021064677-A1	Inhibitors of human immunodeficiency virus replication	20191004
WO-2020224656-A1	Bisheterocyclic carbonyl substituted dihydropyrazole compound, preparation method therefor and pharmaceutical use thereof	20190509
US-2020352942-A1	Dosage forms and regimens for amino acid compounds	20190408

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.0090405
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5