AG003Q97

76360-82-2 | Ethyl 4-(methylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate

AG003Q97

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CAS Number	76360-82-2
Catalog Number	AG003Q97(AGN-PC-0JPER4)
Chemical Name	Ethyl 4-(methylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
IUPAC Name	ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate
InChI	InChI=1S/C9H13N3O2S/c1-4-14-8(13)6-5-11-9(15-3)12-7(6)10-2/h5H,4H2,1-3H3,(H,10,11,12)
InChI Key	VDDZMXQAZJMGPK-UHFFFAOYSA-N
MDL Number	MFCD00476788
Molecular Formula	C9H13N3O2S
Molecular Weight	227.2834
NSC Number	165300
SMILES	CCOC(=O)C1=C(NC)N=C(SC)N=C1
Synonyms	76360-82-2, ethyl 4-(methylamino)-2-(methylthio)pyrimidine-5-carboxylate, ETHYL 4-(METHYLAMINO)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE, 4-Methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester, ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate, 4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylic Acid Ethyl Ester, AK-26819, ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate, Ethyl 4-(methylamino)-2-(methylthio)-pyrimidine-5-carboxylate, 4-Methylamino-2-methylthiopyrimidine-5-carboxylic Acid Ethyl Ester, VDDZMXQAZJMGPK-UHFFFAOYSA-N, NSC165300, Ethyl4-(methylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate, AC1L6OPS, AC1Q34BN, SCHEMBL1521842, CTK8C1466, KS-00000BSP, DTXSID50304287, ZINC370632, 1887AC, ANW-66721, MFCD00476788, AKOS000554707, 7N-512S, CS-W000293, MCULE-9603964805, NSC 165300, NSC-165300, TRA-0184316, AC-29427, AJ-20257, BAS 00317798, QC-10128, SY026677, AB0007414, AX8167682, DB-031231, TC-063406, 4CH-002086, A9679, FT-0671470, ST50979225, Z-3681, MFCD00476788 (97+%), Z1037335696, ethyl 4-(methylamino)-2-methylthiopyrimidine-5-carboxylate, ethyl 4-methylamino-2-methyl-thiopyrimidine-5-carboxylate, ethyl 4-methylamino-2-methylsulfanylpyrimidine-5-carboxylate, Ethyl4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylate, 4-methylamino-2-methylsulfanyl-5-pyrimidinecarboxylate ethyl ester, 4-methylamino-2-methylthio-5-pyrimidine carboxylic acid ethyl ester, 4-methylamino2-methylthio-5-pyrimidine carboxylic acid ethyl ester, 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester, 4-Methylamino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester, 4-methylamino-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester, C9H13N3O2S, CID295697,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.073g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.282g/mol
Monoisotopic Mass	227.073g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	89.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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