Istradefylline Impurity 24

CAT: 1299-RM-I190424-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I190424-01Size:10 mg

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

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CAS Number

21237-00-3

Synonyms

6-amino-3-ethylpyrimidine-2,4 (1H,3H) -dione

Molecular Formula

C6H9N3O2

Molecular Weight

155.16

Target Alternative Name

Istradefylline

Product Name Synonym

6-amino-3-ethylpyrimidine-2,4 (1H,3H) -dione

Chemical Information

6-Amino-3-ethylpyrimidine-2,4(1H,3H)-dione

CAS Number	21237-00-3
PubChem CID	13947631
IUPAC Name	6-amino-3-ethyl-1H-pyrimidine-2,4-dione
Molecular Formula	C6H9N3O2
Molecular Weight	155.15
XLogP	-0.9
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	234

SMILES

CCN1C(=O)C=C(NC1=O)N

InChI

InChI=1S/C6H9N3O2/c1-2-9-5(10)3-4(7)8-6(9)11/h3H,2,7H2,1H3,(H,8,11)

InChIKey

XCDKMLYGJSCXIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21237-00-3

CID: 13947631

Formula: C6H9N3O2

MW: 155.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.15
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	155.069476538
Monoisotopic Mass	155.069476538
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	11
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

Catalog	Name
RM-I190401-01	Istradefylline Impurity 1 ((Z) -Istradefylline)
RM-I190408-01	Istradefylline Impurity 8
RM-I190405-01	Istradefylline Impurity 5
RM-I190403-01	Istradefylline Impurity 3
RM-I190418-01	Istradefylline Impurity 18
RM-I190411-01	Istradefylline Impurity 11
RM-I190449-01	Istradefylline Impurity 49
RM-I190443-01	Istradefylline Impurity 43
RM-I190442-01	Istradefylline Impurity 42
RM-I190438-01	Istradefylline Impurity 38

Catalog	Name
AR-I01942-01	Istradefylline Impurity 7
AR-I01952-01	Istradefylline Impurity 6
AR-I01946-01	Istradefylline Impurity 3
AR-I01943-01	Istradefylline Impurity 1
AR-I01948-01	Istradefylline Impurity 5
AR-I04182-01	Istradefylline Impurity 10
AR-I01947-01	Istradefylline Impurity 4
AR-I04184-01	Istradefylline Impurity 15
AR-I04183-01	Istradefylline Impurity 14
AR-I01941-01	Istradefylline Dimer Impurity 1