AG01EB12

919486-40-1 | 4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidine-5-carboxamide

AG01EB12

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CAS Number	919486-40-1
Catalog Number	AG01EB12(AGN-PC-0N2UI3)
Chemical Name	4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidine-5-carboxamide
IUPAC Name	4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidine-5-carboxamide
InChI	InChI=1S/C20H20ClN5O2/c21-16-10-13(6-7-17(16)27)8-9-23-20-25-12-15(18(22)28)19(26-20)24-11-14-4-2-1-3-5-14/h1-7,10,12,27H,8-9,11H2,(H2,22,28)(H2,23,24,25,26)
InChI Key	OZRMEKAUZBKTTC-UHFFFAOYSA-N
MDL Number	MFCD24038757
Molecular Formula	C20H20ClN5O2
Molecular Weight	397.8581
SMILES	O=C(C1=CN=C(NCCC2=CC=C(O)C(Cl)=C2)N=C1NCC3=CC=CC=C3)N
UNII	2H31HOT08T
Synonyms	4-(benzylamino)-2-((2-(3-chloro-4-hydroxyphenyl)ethyl)amino)pyrimidine-5-carboxamide, AS 1517499, AS-1517499, AS1517499, 919486-40-1, AS-1517499, AS1517499, 4-(Benzylamino)-2-((3-chloro-4-hydroxyphenethyl)amino)pyrimidine-5-carboxamide, UNII-2H31HOT08T, 2H31HOT08T, CHEMBL228192, 4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidine-5-carboxamide, OZRMEKAUZBKTTC-UHFFFAOYSA-N, AS 1517499, AS-1571499, SCHEMBL2387000, KS-00001CNW, DTXSID30238798, BCP13796, EX-A2470, BDBM50197554, ZINC28641215, AKOS016013167, CS-6099, NCGC00386673-01, 5-Pyrimidinecarboxamide, 2-((2-(3-chloro-4-hydroxyphenyl)ethyl)amino)-4-((phenylmethyl)amino)-, AJ-83560, AK128050, AX8249841, HY-100614, A16802, AS1517499, >=98% (HPLC), 2-(3-chloro-4-hydroxyphenethylamino)-4-(benzylamino)pyrimidine-5-carboxamide, 4-(benzylamino)-2-(3-chloro-4-hydroxyphenethylamino)pyrimidine-5-carboxamide, 4-(benzylamino)-2-{[2-(3-chloro-4-hydroxyphenyl)ethyl]amino}pyrimidine-5-carboxamide, 4-benzylamino-2-{[2-(3-chloro-4-hydroxyphenyl)ethyl]amino}pyrimidine-5-carboxamide, CID10340781, C544923, 4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]py, 4-(benzylamino)-2-((2-(3-chloro-4-hydroxyphenyl)ethyl)amino)pyrimidine-5-carboxamide, 4-(benzylamino)-2-[2-(3-chloro-4-hydroxy-phenyl)ethylamino]pyrimidine-5-carboxamide,

Complexity	491
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	397.131g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	397.863g/mol
Monoisotopic Mass	397.131g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Signal Words	warning
UN Code

Certificate of Analysis

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