AG00ECPC

641569-97-3 | 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester

AG00ECPC

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CAS Number	641569-97-3
Catalog Number	AG00ECPC(AGN-PC-079RWQ)
Chemical Name	4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester
IUPAC Name	ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate
InChI	InChI=1S/C19H18N4O2/c1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15/h4-12H,3H2,1-2H3,(H,21,22,23)
InChI Key	SYTLMFJJRMLMIO-UHFFFAOYSA-N
MDL Number	MFCD11100712
Molecular Formula	C19H18N4O2
Molecular Weight	334.3718
SMILES	O=C(OCC)C1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1
Synonyms	641569-97-3, Ethyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester, Q-101349, ETHYL 4-METHYL-3-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}BENZOATE, SCHEMBL1908559, DTXSID50660875, SYTLMFJJRMLMIO-UHFFFAOYSA-N, BCP15200, EBD20611, KS-00000I5B, MFCD11100712, ZINC35569908, AKOS015896553, DS-4351, AJ-91521, AK115933, AN-27843, SC-72022, AX8164200, DB-073451, AM20090652, FT-0656809, ST24047046, Z1740, 569M973, A834656, I06-2340, I14-4709, ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate, ethyl 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoate, 3-[4-(3-Pyridyl)-2-pyrimidinylamino]-4-methylbenzoic acid ethyl ester, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethylester, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzoic acid ethyl ester, Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, ethyl ester, C19H18N4O2, ACN-050712, CS-O-13002, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]b, Ethyl4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoicacid ethyl ester, Benzoic acid,4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, ethyl ester,

Complexity	434
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.143g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	334.379g/mol
Monoisotopic Mass	334.143g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	77A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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