AJI-214 50mg

CAT: 0628-A24081-50Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A24081-50Size:50 mg

Selected

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

Quick Request Actions

CAS Number

1395886-20-0

Chemical Information

Bisanilinopyrimidine, 9m

CAS Number	1395886-20-0
PubChem CID	70702160
IUPAC Name	4-[[4-(2-chloroanilino)-5-fluoropyrimidin-2-yl]amino]benzamide
Molecular Formula	C17H13ClFN5O
Molecular Weight	357.8
XLogP	3.6
Topological Polar Surface Area	92.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	449

SMILES

C1=CC=C(C(=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C(=O)N)Cl

InChI

InChI=1S/C17H13ClFN5O/c18-12-3-1-2-4-14(12)23-16-13(19)9-21-17(24-16)22-11-7-5-10(6-8-11)15(20)25/h1-9H,(H2,20,25)(H2,21,22,23,24)

InChIKey

XSPXJYVALVHTAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1395886-20-0

CID: 70702160

Formula: C17H13ClFN5O

MW: 357.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.8
XLogP3	3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	357.0792659
Monoisotopic Mass	357.0792659
Topological Polar Surface Area	92.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	449
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