Ethyl 2-Aminopyrimidine-5-carboxylate - CAS 57401-76-0

Name: Ethyl 2-Aminopyrimidine-5-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029695
Product Name:	Ethyl 2-Aminopyrimidine-5-carboxylate
CAS:	57401-76-0
Synonyms:	2-amino-5-pyrimidinecarboxylic acid ethyl ester; ethyl 2-aminopyrimidine-5-carboxylate

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Computed Properties

IUPAC Name:	ethyl 2-aminopyrimidine-5-carboxylate
Description:	Ethyl 2-Aminopyrimidine-5-carboxylate (CAS# 57401-76-0) is a reagent used in the synthesis of retinoidal pyrimidinecarboxylic acids.
Molecular Weight:	167.17
Molecular Formula:	C7H9N3O2
Canonical SMILES:	CCOC(=O)C1=CN=C(N=C1)N
InChI:	InChI=1S/C7H9N3O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3,(H2,8,9,10)
InChI Key:	GCGQBUJYXVSZBS-UHFFFAOYSA-N
Boiling Point:	349.1 °C at 760 mmHg
Density:	1.261 g/cm³
MDL:	MFCD04114100
LogP:	0.81670

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020191208-A1	Prostaglandin receptor ep2 antagonists, derivatives, and uses related thereto	20190320
WO-2020182990-A1	Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases	20190314
CN-110655491-A	Simple preparation method of 2-aminopyrimidine-5-formic ether	20180629
CN-110655491-B	Simple preparation method of 2-aminopyrimidine-5-formic ether	20180629
US-10005785-B2	Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors	20140801

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.069476538
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.069476538
Rotatable Bond Count:	3
Topological Polar Surface Area:	78.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2