| CAS Number | 2177266-59-8 |
| Catalog Number | AG01EFMM |
| Chemical Name | 2-imino-7,7-dimethyl-2,3,7,8-tetrahydropyrido[4,3-d]pyrimidin-5(6H)-one |
| IUPAC Name | 2-imino-7,7-dimethyl-6,8-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one |
| InChI | InChI=1S/C9H12N4O/c1-9(2)3-6-5(7(14)13-9)4-11-8(10)12-6/h4-5,10H,3H2,1-2H3,(H,13,14) |
| InChI Key | JIGYIXAOZQNLKL-UHFFFAOYSA-N |
| MDL Number | MFCD31579953 |
| Molecular Formula | C9H12N4O |
| Molecular Weight | 192.2178 |
| SMILES | O=C1NC(C)(C)CC2=NC(N)=NC=C21 |
| Synonyms | 2-imino-7,7-dimethyl-2,3,7,8-tetrahydropyrido[4,3-d]pyrimidin-5(6H)-one,
2177266-59-8,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.222g/mol |
| Monoisotopic Mass | 192.101g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 77.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
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