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931-63-5 | 2-Methoxypyrimidine
CAS No: 931-63-5 Catalog No: AG003HKM MDL No:MFCD00234104
Product Description
Catalog Number:
AG003HKM
Chemical Name:
2-Methoxypyrimidine
CAS Number:
931-63-5
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD00234104
IUPAC Name:
2-methoxypyrimidine
InChI:
InChI=1S/C5H6N2O/c1-8-5-6-3-2-4-7-5/h2-4H,1H3
InChI Key:
YLZYSVYZMDJYOT-UHFFFAOYSA-N
SMILES:
COc1ncccn1
NSC Number:
165557
Properties
Complexity:
61.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Different hydrogen-bonded structures in the isomeric solvates 2-amino-6-anilino-4-methoxy-5-[(E)-4-nitrobenzylideneamino]pyrimidine dimethyl sulfoxide solvate and 2-amino-6-[methyl(phenyl)amino]-5-[(E)-4-nitrobenzylideneamino]pyrimidin-4(3H)-one dimethyl sulfoxide solvate. | Acta crystallographica. Section C, Crystal structure communications 20090301 |
| Determination of 13C and 15N enrichments of urea in plasma by gas chromatography-combustion isotope ratio mass spectrometry and gas chromatography-mass spectrometry using the 2-methoxypyrimidine derivative. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030705 |
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