4,6-Dichloro-5-methoxypyrimidine - CAS 5018-38-2

Catalog:	BB026941
Product Name:	4,6-Dichloro-5-methoxypyrimidine
CAS:	5018-38-2
Synonyms:	4,6-dichloro-5-methoxypyrimidine; 4,6-dichloro-5-methoxypyrimidine

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Computed Properties

IUPAC Name:	4,6-dichloro-5-methoxypyrimidine
Description:	4,6-Dichloro-5-methoxypyrimidine (CAS# 5018-38-2) is a reagent in the preparation of diazatricyclodecane compound which is a potent agonist of the GPR119 receptor.
Molecular Weight:	179.00
Molecular Formula:	C5H4Cl2N2O
Canonical SMILES:	COC1=C(N=CN=C1Cl)Cl
InChI:	InChI=1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3
InChI Key:	IJQIGKLDBGKSNT-UHFFFAOYSA-N
Boiling Point:	257.8 °C at 760 mmHg
Density:	1.446 g/cm³
MDL:	MFCD00087680
LogP:	1.79200

Publication Number	Title	Priority Date
CN-112457259-A	Preparation method of sulfadoxine	20201208
CN-111484456-A	Refining process of 5-methoxy-4, 6-dichloropyrimidine	20200511
CN-212441190-U	Environment-friendly preparation equipment of 5-methoxy-4, 6-dichloropyrimidine	20200511
US-2021309651-A1	Lpxc inhibitor and methods of making	20200325
WO-2021195260-A1	Lpxc inhibitor and methods of making	20200325

PMID	Publication Date	Title	Journal
21579827	20100120	4,6-Dichloro-5-methoxy-pyrimidine	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.9700681
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.9700681
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1