2-Amino-4-methylpyrimidine - CAS 108-52-1

Name: 2-Amino-4-methylpyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002280
Product Name:	2-Amino-4-methylpyrimidine
CAS:	108-52-1
Synonyms:	4-methyl-2-pyrimidinamine; 4-methylpyrimidin-2-amine

Technical Data

IUPAC Name:	4-methylpyrimidin-2-amine
Description:	2-Amino-4-methylpyrimidine (CAS# 108-52-1) is a compound involved in a study about carbonylation as a key reaction in anaerobic acetone activation by Desulfococcus biacutus. 2-Amino-4-methylpyrimidine is formed as the product of a reaction between acetoacetaldehyde and guanidine.
Molecular Weight:	109.13
Molecular Formula:	C5H7N3
Canonical SMILES:	CC1=NC(=NC=C1)N
InChI:	InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
InChI Key:	GHCFWKFREBNSPC-UHFFFAOYSA-N
Boiling Point:	283.4 °C at 760 mmHg
Density:	1.155 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00006101
LogP:	0.94840

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

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PMID	Publication Date	Title	Journal
22223279	20120101	Decaaquabis(μ3-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal-organic framework based on a tetranuclear Mn(II) complex of chelidamic acid and undecameric stitching water clusters	Acta crystallographica. Section C, Crystal structure communications
21587454	20100930	Bis(2-amino-4-methyl-pyrimidin-3-ium) trans-diaqua-bis-(pyrazine-2,3-di-car-boxylato)cobaltate(II) hexa-hydrate	Acta crystallographica. Section E, Structure reports online
21577711	20090905	(2-Amino-4,6-dimethyl-pyrimidine-κN)(2-amino-4-methyl-pyrimidine-κN)silver(I) perchlorate	Acta crystallographica. Section E, Structure reports online
21577712	20090905	(2-Amino-4,6-dimethyl-pyrimidine-κN)(2-amino-4-methyl-pyrimidine-κN)silver(I) nitrate	Acta crystallographica. Section E, Structure reports online
17317281	20071101	Stepwise charge transfer complexation of some pyrimidines with sigma-acceptor iodine involving a new unconventional acceptor	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	74.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.063997236
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3