| CAS Number | 114833-96-4 |
| Catalog Number | AG000FBO(AGN-PC-0N945R) |
| Chemical Name | Pyrimidine, 4-methoxy-6-methyl-2-(1H-pyrazol-1-yl)- |
| IUPAC Name | 4-methoxy-6-methyl-2-pyrazol-1-ylpyrimidine |
| InChI | InChI=1S/C9H10N4O/c1-7-6-8(14-2)12-9(11-7)13-5-3-4-10-13/h3-6H,1-2H3 |
| InChI Key | JMOIYFQXFXBKRH-UHFFFAOYSA-N |
| MDL Number | MFCD00876128 |
| Molecular Formula | C9H10N4O |
| Molecular Weight | 190.2019 |
| SMILES | Cc1cc(nc(n1)n2cccn2)OC |
| Synonyms | 114833-96-4,
4-Methoxy-6-methyl-2-(1H-pyrazol-1-yl)pyrimidine,
Pyrimidine, 4-methoxy-6-methyl-2-(1H-pyrazol-1-yl)-,
ACMC-20mkuu,
SCHEMBL9522293,
CTK0C6682,
DTXSID40443694,
JMOIYFQXFXBKRH-UHFFFAOYSA-N,
KS-000000GI,
MFCD00876128,
AKOS028108929,
4-methoxy-6-methyl-2-(1-pyrazolyl)pyrimidine,
2-(1H-Pyrazol-1-yl)-4-methoxy-6-methylpyrimidine,
CID10702834,
4-methoxy-6-methyl-2-pyrazol-1-yl-pyrimidine,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.206g/mol |
| Monoisotopic Mass | 190.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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