GW2580

CAT: 0127-BUP15491-06Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15491-06Size:500 mg

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

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CAS Number

870483-87-7

Synonyms

GW 2580, SC-203877

Purity

=98%

Smiles

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

Chemical Information

GW-2580

CAS Number	870483-87-7
PubChem CID	11617559
IUPAC Name	5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
Molecular Formula	C20H22N4O3
Molecular Weight	366.4
XLogP	2.6
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	433

SMILES

COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC

InChI

InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)

InChIKey

MYQAUKPBNJWPIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 870483-87-7

CID: 11617559

Formula: C20H22N4O3

MW: 366.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.4
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	366.16919058
Monoisotopic Mass	366.16919058
Topological Polar Surface Area	106 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	433
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