BAY 61-3606 5mg

CAT: 0628-A11320-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A11320-5Size:5 mg

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CAS Number

732983-37-8

Chemical Information

Bay 61-3606

2-[[7-(3,4-dimethoxyphenyl)-5-imidazo[1,2-c]pyrimidinyl]amino]-3-pyridinecarboxamide is a member of pyrimidines.

CAS Number	732983-37-8
PubChem CID	10200390
IUPAC Name	2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
Molecular Formula	C20H18N6O3
Molecular Weight	390.4
XLogP	3.3
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	566

SMILES

COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC

InChI

InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)

InChIKey

JWQOJVOKBAAAAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 732983-37-8

CID: 10200390

Formula: C20H18N6O3

MW: 390.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	390.4
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	390.14403846
Monoisotopic Mass	390.14403846
Topological Polar Surface Area	117 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	566
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