2,4-Dichloro-5-fluoro-6-methylpyrimidine - CAS 954220-98-5

Catalog:	BB041709
Product Name:	2,4-Dichloro-5-fluoro-6-methylpyrimidine
CAS:	954220-98-5
Synonyms:	2,4-dichloro-5-fluoro-6-methylpyrimidine; 2,4-dichloro-5-fluoro-6-methylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2,4-dichloro-5-fluoro-6-methylpyrimidine
Description:	2,4-Dichloro-5-fluoro-6-methylpyrimidine (CAS# 954220-98-5) is a useful research chemical.
Molecular Weight:	181.00
Molecular Formula:	C5H3Cl2FN2
Canonical SMILES:	CC1=C(C(=NC(=N1)Cl)Cl)F
InChI:	InChI=1S/C5H3Cl2FN2/c1-2-3(8)4(6)10-5(7)9-2/h1H3
InChI Key:	IYGLMCCNOPCDCR-UHFFFAOYSA-N
LogP:	2.23090

Publication Number	Title	Priority Date
AU-2017382830-A1	Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of use thereof	20161219
CA-3045032-A1	Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof	20161219
EP-3555070-A1	Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof	20161219
JP-2020504715-A	Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of using the same	20161219
KR-20190092542-A	Amine-Substituted Heterocyclic Compounds as EHMT2 Inhibitors and Methods of Use thereof	20161219

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.9657317
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.9657317
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6