Macitentan Impurity 70

CAT: 1299-RM-M010370-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M010370-04Size:100 mg

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

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CAS Number

7752-82-1

Synonyms

5-bromopyrimidin-2-amine;5-bromo-2-aminopyrimidine

Molecular Formula

C4H4BrN3

Molecular Weight

174

Target Alternative Name

Macitentan

Product Name Synonym

5-bromopyrimidin-2-amine;5-bromo-2-aminopyrimidine

Chemical Information

2-Amino-5-bromopyrimidine

CAS Number	7752-82-1
PubChem CID	231310
IUPAC Name	5-bromopyrimidin-2-amine
Molecular Formula	C4H4BrN3
Molecular Weight	174.00
XLogP	0.5
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	69

SMILES

C1=C(C=NC(=N1)N)Br

InChI

InChI=1S/C4H4BrN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)

InChIKey

UHRHPPKWXSNZLR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7752-82-1

CID: 231310

Formula: C4H4BrN3

MW: 174.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.00
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	172.95886
Monoisotopic Mass	172.95886
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	69.7
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