Alogliptin Impurity 42

CAT: 1596-AR-A06023-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06023-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2649425-73-8

Synonyms

2,6-dichloro-3-methylpyrimidin-4 (3H) -one

Molecular Formula

C5H4Cl2N2O

Molecular Weight

179.00

API Name

Alogliptin

Chemical Information

2,6-Dichloro-3-methyl-pyrimidin-4-one

CAS Number	2649425-73-8
PubChem CID	156442279
IUPAC Name	2,6-dichloro-3-methylpyrimidin-4-one
Molecular Formula	C5H4Cl2N2O
Molecular Weight	179.00
XLogP	1.4
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	234

SMILES

CN1C(=O)C=C(N=C1Cl)Cl

InChI

InChI=1S/C5H4Cl2N2O/c1-9-4(10)2-3(6)8-5(9)7/h2H,1H3

InChIKey

SBHPDEGMRZWSBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2649425-73-8

CID: 156442279

Formula: C5H4Cl2N2O

MW: 179.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.00
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	177.9700681
Monoisotopic Mass	177.9700681
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes