| CAS Number | 208252-67-9 |
| Catalog Number | AG002JLJ(AGN-PC-00OP5P) |
| Chemical Name | Urea, N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)- |
| IUPAC Name | (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea |
| InChI | InChI=1S/C6H9N5O2/c1-3-8-5(10-4(7)12)11-6(9-3)13-2/h1-2H3,(H3,7,8,9,10,11,12) |
| InChI Key | NEVDMPLXCGERDI-UHFFFAOYSA-N |
| MDL Number | MFCD20690887 |
| Molecular Formula | C6H9N5O2 |
| Molecular Weight | 183.1680 |
| SMILES | COc1nc(NC(=O)N)nc(n1)C |
| Synonyms | 208252-67-9,
SCHEMBL4286264,
CTK0J0014,
DTXSID40570919,
2-Ureido-4-methoxy-6-methyl-1,3,5-triazine,
[4-methoxy-6-methyl-1,3,5-triazin-2-yl]urea,
N-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)urea,
Urea, (4-methoxy-6-methyl-1,3,5-triazin-2-yl)-,
Urea, N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.171g/mol |
| Monoisotopic Mass | 183.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
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