4-Hydroxy-4-(5-pyrimidinyl)cyclohexanone - CAS 708274-26-4

Catalog:	BB034249
Product Name:	4-Hydroxy-4-(5-pyrimidinyl)cyclohexanone
CAS:	708274-26-4
Synonyms:	4-hydroxy-4-(5-pyrimidinyl)-1-cyclohexanone; 4-hydroxy-4-pyrimidin-5-ylcyclohexan-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-hydroxy-4-pyrimidin-5-ylcyclohexan-1-one
Description:	4-Hydroxy-4-(5-pyrimidinyl)cyclohexanone (CAS# 708274-26-4 ) is a useful research chemical.
Molecular Weight:	192.21
Molecular Formula:	C10H12N2O2
Canonical SMILES:	C1CC(CCC1=O)(C2=CN=CN=C2)O
InChI:	InChI=1S/C10H12N2O2/c13-9-1-3-10(14,4-2-9)8-5-11-7-12-6-8/h5-7,14H,1-4H2
InChI Key:	MOFXSVPGVNPBAU-UHFFFAOYSA-N
LogP:	0.80730

Publication Number	Title	Priority Date
AU-2009324723-A1	4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2	20081210
AU-2009324723-B2	4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2	20081210
CA-2745969-C	4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of ccr2	20081210
EA-018997-B1	CCR2 ANTAGONISTS OF 4-AZETIDINYL-1-HETEROARYL CYCLOGEXANOL GROUP	20081210
EP-2376475-A1	4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of ccr2	20081210

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Carbonyl Compounds

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.08987763
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.08987763
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7