2,4-Dichloro-5-methoxypyrimidine - CAS 19646-07-2

Catalog:	BB015194
Product Name:	2,4-Dichloro-5-methoxypyrimidine
CAS:	19646-07-2
Synonyms:	2,4-dichloro-5-methoxypyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2,4-dichloro-5-methoxypyrimidine
Description:	Used for preparation of heteroarylpiperazine derivatives for use in treatment of Alzheimer's disease.
Molecular Weight:	179.00
Molecular Formula:	C5H4Cl2N2O
Canonical SMILES:	COC1=CN=C(N=C1Cl)Cl
InChI:	InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
InChI Key:	ZTHHRSBDBPCCMZ-UHFFFAOYSA-N
Boiling Point:	259.9 °C at 760 mmHg
Melting Point:	68 °C
Purity:	97 %
Density:	1.446 g/cm³
Appearance:	White or slight yellow solid
MDL:	MFCD02685670
LogP:	1.79200

Publication Number	Title	Priority Date
CN-113214164-A	Synthetic method of Leborane intermediate 2, 4-dimethylpyrimidine-5-ol	20210520
CN-112807310-A	Application of 2, 4-diamino substituted-5-methylpyrimidine micromolecule compound	20210204
CN-112592318-A	2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof	20201212
WO-2021185297-A1	Egfr tyrosine kinase inhibitor and use thereof	20200318
CN-111233834-A	FAK-targeting compound and markers thereof, and preparation methods and applications of FAK-targeting compound and markers	20200309

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Related Functional Groups

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GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	114
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