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Ethyl 4-Amino-2-(methylthio)pyrimidine-5-carboxylate

Ethyl 4-Amino-2-(methylthio)pyrimidine-5-carboxylate - CAS 776-53-4

Catalog:	BB036005
Product Name:	Ethyl 4-Amino-2-(methylthio)pyrimidine-5-carboxylate
CAS:	776-53-4
Synonyms:	4-amino-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
Description:	Used for preparation of pyrimidopyrimidines as protein kinase inhibitors.
Molecular Weight:	213.26
Molecular Formula:	C8H11N3O2S
Canonical SMILES:	CCOC(=O)C1=CN=C(N=C1N)SC
InChI:	InChI=1S/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11)
InChI Key:	QINRQIZOBCQKAZ-UHFFFAOYSA-N
Boiling Point:	370.3 °C at 760 mmHg
Density:	1.31 g/cm³
MDL:	MFCD00090781
LogP:	1.53860

Publication Number	Title	Priority Date
WO-2020232190-A1	Protein kinase inhibitors and uses thereof for the treatment of diseases and conditions	20190516
KR-102164589-B1	Pyrido[2,3-d]pyrimidin-7(8H)-one derivatives and Composition for skin whitening and Pharmaceutical composition for use in preventing or treating disorders of Melanin Hyperpigmentation containing the same as an active ingredient	20190226
KR-20200104478-A	Pyrido[2,3-d]pyrimidin-7(8H)-one derivatives and Composition for skin whitening and Pharmaceutical composition for use in preventing or treating disorders of Melanin Hyperpigmentation containing the same as an active ingredient	20190226
CN-109384790-A	Fibroblast growth factor acceptor inhibitor and application thereof	20170808
TW-201910331-A	Fibroblast growth factor receptor inhibitor, pharmaceutical preparation containing the same, and use thereof	20170808

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.05719778
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.05719778
Rotatable Bond Count:	4
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5