| CAS Number | 1393442-30-2 |
| Catalog Number | AG009X7M(AGN-PC-0WA6VK) |
| Chemical Name | 2-Methoxy-4-pyrrolidinopyrimidine |
| IUPAC Name | 2-methoxy-4-pyrrolidin-1-ylpyrimidine |
| InChI | InChI=1S/C9H13N3O/c1-13-9-10-5-4-8(11-9)12-6-2-3-7-12/h4-5H,2-3,6-7H2,1H3 |
| InChI Key | QZOCIEHHRHSMFP-UHFFFAOYSA-N |
| MDL Number | MFCD22383693 |
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.2190 |
| SMILES | COc1nccc(n1)N1CCCC1 |
| Synonyms | 2-Methoxy-4-pyrrolidinopyrimidine,
1393442-30-2,
2-Methoxy-4-(pyrrolidin-1-yl)pyrimidine,
ZINC95495563,
V2938,
C9H13N3O,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.223g/mol |
| Monoisotopic Mass | 179.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number