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5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester

5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester structure

CAS No:
776-53-4
Formula:
C8H11N3O2S
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
Synonyms:
5-Pyrimidinecarboxylic acid,4-amino-2-(methylthio)-,ethyl ester;4-Amino-2-methanethiopyrimidine-5-carboxylic acid ethyl ester;Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate;NSC 9310;Ethyl 4-amino-2-methylsulfanyl-5-pyrimidinecarboxylate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White solid

5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester Basic Attributes

Molecular Weight：

213.26

Exact Mass：

213.26

NSC Number：

9310

DSSTox ID：

DTXSID30278699

HScode：

2933599090

Characteristics

PSA：

103

XLogP3：

1.5

Density：

1.31 g/cm3

Melting Point：

127-128 °C

Boiling Point：

370.3°C at 760 mmHg

Refractive Index：

1.585

Safety Information

hazard class code：

safety instructions：

36/37-24/25

Marks：

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester Use and Manufacturing

Used for preparation of pyrimidopyrimidines as protein kinase inhibitors.

Computed Properties

Molecular Weight:213.26
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:213.05719778
Monoisotopic Mass:213.05719778
Topological Polar Surface Area:103
Heavy Atom Count:14
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphorus oxychloride

Ammonium hydroxide

Ethanol

Acetic acid

Benzene

Dimethyl sulfate

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CAS No.: 776-53-4

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Guide of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
Learn More Other Chemicals

5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester

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