CAS 3438-46-8 | 4-Methylpyrimidine | CAS Number 3438-46-8

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3438-46-8 | 4-Methylpyrimidine

CAS No: 3438-46-8 Catalog No: AG003LSN MDL No:MFCD00006115

Product Description

Catalog Number:

AG003LSN

Chemical Name:

4-Methylpyrimidine

CAS Number:

3438-46-8

Molecular Formula:

C5H6N2

Molecular Weight:

94.1145

MDL Number:

MFCD00006115

IUPAC Name:

4-methylpyrimidine

InChI:

InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3

InChI Key:

LVILGAOSPDLNRM-UHFFFAOYSA-N

SMILES:

Cc1ccncn1

EC Number:

222-344-2

UNII:

3D1R4OMX4N

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

94.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

94.117g/mol

Monoisotopic Mass:

94.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

25.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
Pyrazoloquinolines as PDE10A inhibitors: discovery of a tool compound.	Bioorganic & medicinal chemistry letters 20120201
2-Amino-5-chloro-pyrimidin-1-ium hydrogen maleate.	Acta crystallographica. Section E, Structure reports online 20120101
[RuII(NO+)]3+-core complexes with 4-methyl-pyrimidine and ethyl-isonicotinate: synthesis, X-ray structure, spectroscopy, and computational and NO-release studies upon UVA irradiation.	Journal of inorganic biochemistry 20081001
3-Ethyl-sulfanyl-5-methyl-1-phenyl-7-(pyrrolidin-1-yl)-1H-pyrimido[4,5-e][1,3,4]thia-diazine.	Acta crystallographica. Section E, Structure reports online 20080801
Ferromagnetic exchange coupling of vanadium(IV) dpi spins across pyrimidine rings: dinuclear complexes of oxovanadium(IV) bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionate) bridged by pyrimidine derivatives.	Inorganic chemistry 20011231
Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions.	Acta crystallographica. Section B, Structural science 20011201
trans-Dichlorotetrakis(4-methylpyrimidine-N1)ruthenium(II).	Acta crystallographica. Section C, Crystal structure communications 20010901