MSX-122

CAT: 0127-BUP10412-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10412-03Size:25 mg

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

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CAS Number

897657-95-3

Synonyms

MSX 122, MSX122

Purity

=95%

Smiles

C(Nc1ncccn1)c1ccc(CNc2ncccn2)cc1

Chemical Information

Msx-122

MSX-122 has been used in trials studying the treatment of Solid Tumors.

CAS Number	897657-95-3
PubChem CID	11687907
IUPAC Name	N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine
Molecular Formula	C16H16N6
Molecular Weight	292.34
XLogP	2.1
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	263

SMILES

C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3

InChI

InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)

InChIKey

PXZXYRKDDXKDTK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 897657-95-3

CID: 11687907

Formula: C16H16N6

MW: 292.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.34
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	292.14364454
Monoisotopic Mass	292.14364454
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	263
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