Uracil Impurity 3

CAT: 1596-AR-U01330-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-U01330-02Size:25 Units

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CAS Number

58537-55-6

Synonyms

5- (Hydroxyimino) -6-imino-1,3-dimethyldihydropyrimidine-2,4 (1H,3H) -dione

Molecular Formula

C6H8N4O3

Molecular Weight

184.16

API Name

Uracil

Chemical Information

6-Amino-1,3-dimethyl-5-nitrosouracil

CAS Number	58537-55-6
PubChem CID	81133
IUPAC Name	6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
Molecular Formula	C6H8N4O3
Molecular Weight	184.15
XLogP	0.1
Topological Polar Surface Area	96.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	322

SMILES

CN1C(=C(C(=O)N(C1=O)C)N=O)N

InChI

InChI=1S/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7H2,1-2H3

InChIKey

MGBDANYXBKROBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58537-55-6

CID: 81133

Formula: C6H8N4O3

MW: 184.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.15
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	184.05964013
Monoisotopic Mass	184.05964013
Topological Polar Surface Area	96.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	322
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
AR-U01328-01	Uracil Impurity 8
AR-U01331-01	Uracil Impurity 4 HCl
AR-B02043-01	Brivudine Di-Uracil Impurity
AR-U01053-01	Uracil (Lamivudine EP Impurity F, Fluorouracil EP Impurity C)
AR-U01061-01	1,3-Dimethyl-4-imino-uracil
AR-U01054-01	Uracil-13C-15N2
AR-N01599-01	Nintedanib Impurity 3 (Intedanib Impurity 3)
AR-T06302-01	Uracil deoxyribose-D2
AR-U01062-01	4,5-Diamino-1,3-dimethyl Uracil
AR-U01063-01	1,3-Dimethyl-4-imino-5-isonitro-uracil

Catalog	Name
RM-C250201-01	Cytarabine EP Impurity A; Uracil Arabinoside
RM-U010300-01	Uracil; Lamivudine EP Impurity F; Fluorouracil EP Impurity C
B1863-1000	Uracil