Pirinixil 50mg

CAT: 0628-A17112-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A17112-50Size:50 mg

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CAS Number

65089-17-0

Chemical Information

2-((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)-N-(2-hydroxyethyl)acetamide

Pirinixil is a small molecule drug. Pirinixil has a monoisotopic molecular weight of 366.09 Da.

CAS Number	65089-17-0
PubChem CID	68851
IUPAC Name	2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide
Molecular Formula	C16H19ClN4O2S
Molecular Weight	366.9
XLogP	3.3
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	404

SMILES

CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C

InChI

InChI=1S/C16H19ClN4O2S/c1-10-4-3-5-12(11(10)2)19-14-8-13(17)20-16(21-14)24-9-15(23)18-6-7-22/h3-5,8,22H,6-7,9H2,1-2H3,(H,18,23)(H,19,20,21)

InChIKey

RZCKTPORLKUFGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65089-17-0

CID: 68851

Formula: C16H19ClN4O2S

MW: 366.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.9
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	366.0917247
Monoisotopic Mass	366.0917247
Topological Polar Surface Area	112 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	404
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

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