4-Aminopyrimidine - CAS 591-54-8

Name: 4-Aminopyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030289
Product Name:	4-Aminopyrimidine
CAS:	591-54-8
Synonyms:	pyrimidin-4-amine

Technical Data

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Literatures

Computed Properties

IUPAC Name:	pyrimidin-4-amine
Description:	4-Aminopyrimidine (CAS# 591-54-8) is a useful research chemical.
Molecular Weight:	95.10
Molecular Formula:	C4H5N3
Canonical SMILES:	C1=CN=CN=C1N
InChI:	InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)
InChI Key:	OYRRZWATULMEPF-UHFFFAOYSA-N
Boiling Point:	240.7 °C at 760 mmHg
Melting Point:	151-155 °C
Purity:	95 %
Density:	1.216 g/cm³
Appearance:	White to slightly beige crystals or powder
MDL:	MFCD00006112
LogP:	0.64000

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Related Functional Groups

Amines and Anilines

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[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1082066-00-9]C7H8N2O
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[17583-40-3]C8H8N2
2-(Methylamino)benzonitrile

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2016002225-A1	Inhibitors of bruton's tyrosine kinase	20140702
US-2015376181-A1	Mnk inhibitors and methods related thereto	20140625
US-9382248-B2	Mnk inhibitors and methods related thereto	20140625
WO-2015197655-A1	Methods and products from the reaction of tetrazines with nucleic acid polymers bearing ethenyl aromatic groups	20140625
WO-2015198046-A1	1,3-substituted 2-aminoindole derivatives and analogues useful in the treatment or prevention of diabetes mellitus, obesity and inflammatory bowel disease	20140625

PMID	Publication Date	Title	Journal
22970650	20121009	Glyoxylate carboligase: a unique thiamin diphosphate-dependent enzyme that can cycle between the 4'-aminopyrimidinium and 1',4'-iminopyrimidine tautomeric forms in the absence of the conserved glutamate	Biochemistry
22327957	20120801	Consequences of one-electron oxidation and one-electron reduction for 4-aminopyrimidine--DFT studies	Journal of molecular modeling
22548338	20120701	Design, synthesis and antiproliferative activity of 2-acetamidothiazole-5-carboxamide derivatives	Medicinal chemistry (Shariqah (United Arab Emirates))
22300533	20120227	Bifunctionality of the thiamin diphosphate cofactor: assignment of tautomeric/ionization states of the 4'-aminopyrimidine ring when various intermediates occupy the active sites during the catalysis of yeast pyruvate decarboxylase	Journal of the American Chemical Society
22346940	20120201	2-Chloro-pyrimidin-4-amine	Acta crystallographica. Section E, Structure reports online

Complexity:	54.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	95.048347172
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	95.048347172
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2