5-(Chloromethyl)pyrimidine - CAS 101346-02-5

Catalog:	BB000488
Product Name:	5-(Chloromethyl)pyrimidine
CAS:	101346-02-5
Synonyms:	5-(chloromethyl)pyrimidine; 5-(chloromethyl)pyrimidine

Technical Data

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Computed Properties

IUPAC Name:	5-(chloromethyl)pyrimidine
Description:	5-(Chloromethyl)pyrimidine Hydrochloride can be used as PAD inhibitors to treat various disorders.
Molecular Weight:	128.56
Molecular Formula:	C5H5ClN2
Canonical SMILES:	C1=C(C=NC=N1)CCl
InChI:	InChI=1S/C5H5ClN2/c6-1-5-2-7-4-8-3-5/h2-4H,1H2
InChI Key:	JTDIIDXRVCNTDU-UHFFFAOYSA-N
Boiling Point:	219 ℃ at 760 mmHg
Density:	1.241 g/cm³
MDL:	MFCD10697061
LogP:	1.21540

Publication Number	Title	Priority Date
CN-110746479-A	Compound and preparation method and application thereof	20191012
CN-110746479-B	Compound and preparation method and application thereof	20191012
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
US-2021017169-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
WO-2020205501-A1	Complement modulators and related methods	20190329

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Complexity:	61.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.0141259
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.0141259
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0