(3-{[6-(2-methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide, 95%

Name: (3-{[6-(2-methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
Brand: Chempure

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CAS Number

1073485-20-7

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About this item

IUPAC name	[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
canonical smiles	COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=CC(=C3)CS(=O)(=O)N
inchi	InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
inchi key	GGQCIOOSELPMBB-UHFFFAOYSA-N
molecular formula	C18H18N4O3S
synonyms	LDC000067 1073485-20-7 (3-((6-(2-methoxyphenyl)pyrimidin-4-yl)amino)phenyl)methanesulfonamide LDC067 (3-(6-(2-Methoxyphenyl)pyrimidin-4-ylamino)phenyl)methanesulfonamide

Computed Properties

Molecular Weight:	370.4 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	6
Exact Mass:	370.10996162 g/mol
Monoisotopic Mass:	370.10996162 g/mol
Topological Polar Surface Area:	116 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	539
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

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AZ2692

(3-{[6-(2-methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide, 95%

Product No: AZ2692

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