N-(4-Chloro-2-pyrimidinyl)acetamide - CAS 397247-91-5

Catalog:	BB024105
Product Name:	N-(4-Chloro-2-pyrimidinyl)acetamide
CAS:	397247-91-5
Synonyms:	N-(4-chloro-2-pyrimidinyl)acetamide; N-(4-chloropyrimidin-2-yl)acetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-(4-chloropyrimidin-2-yl)acetamide
Description:	N-(4-Chloro-2-pyrimidinyl)acetamide (CAS# 397247-91-5 ) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C6H6ClN3O
Canonical SMILES:	CC(=O)NC1=NC=CC(=N1)Cl
InChI:	InChI=1S/C6H6ClN3O/c1-4(11)9-6-8-3-2-5(7)10-6/h2-3H,1H3,(H,8,9,10,11)
InChI Key:	YPOZZIHTGQNUOW-UHFFFAOYSA-N
LogP:	1.16140

Publication Number	Title	Priority Date
WO-2012136080-A1	Benzomorpholine derivatives, preparation method and use thereof	20110408
CN-100424083-C	Pyrimidine derivative compound and its preparing method	20061014
CN-1935805-A	Pyrimidine derivative compound and its preparing method	20061014
US-2007282101-A1	Indazole compounds	20060331
US-2012053345-A1	Indazole Compounds	20060331

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Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0199395
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.0199395
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7