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1606-49-1 | Pyrimidine, 1,4,5,6-tetrahydro-
CAS No: 1606-49-1 Catalog No: AG001S2E MDL No:
Product Description
Catalog Number:
AG001S2E
Chemical Name:
Pyrimidine, 1,4,5,6-tetrahydro-
CAS Number:
1606-49-1
Molecular Formula:
C4H8N2
Molecular Weight:
84.1197
IUPAC Name:
1,4,5,6-tetrahydropyrimidine
InChI:
InChI=1S/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)
InChI Key:
VBXZSFNZVNDOPB-UHFFFAOYSA-N
SMILES:
C1CCN=CN1
NSC Number:
72087
Properties
Complexity:
58.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.069g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
84.122g/mol
Monoisotopic Mass:
84.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Dihydrogen activation by frustrated carbene-borane Lewis pairs: an experimental and theoretical study of carbene variation. | Inorganic chemistry 20110801 |
| Dibromidobis[1-(2,4,6-trimethyl-phen-yl)-1,4,5,6-tetra-hydro-pyrimidine-κN]palladium(II). | Acta crystallographica. Section E, Structure reports online 20110101 |
| Carbamate complexation by urea-based receptors: studies in solution and the solid state. | Organic & biomolecular chemistry 20100107 |
| Glutamine 57 at the complementary binding site face is a key determinant of morantel selectivity for {alpha}7 nicotinic receptors. | The Journal of biological chemistry 20090807 |
| Metal-promoted nucleophilic addition and cyclization of diamines with dicyanonitrosomethanide, [C(CN)2(NO)]-. | Chemistry, an Asian journal 20090504 |
| 1,3-Bis(4-tert-butyl-benz-yl)-4,5-dihydro-imidazolium chloride monohydrate. | Acta crystallographica. Section E, Structure reports online 20090201 |
| 1-(2-Phenyl-benz-yl)-3-(2,4,6-trimethyl-benz-yl)imidazolidinium bromide. | Acta crystallographica. Section E, Structure reports online 20090101 |
| Separation of atropisomeric 1,4,5,6-tetrahydropyrimidinium salts by chiral HPLC and determination of their enantiomerization barriers. | Journal of chromatography. A 20050401 |
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