Pluripotin

Chemical Information
Pluripotin is a member of the class of pyrimidopyrimidines that is 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one substituted by methyl, 2-methyl-5-[3-(trifluoromethyl)benzamido]phenyl, and (1,3-dimethyl-1H-pyrazol-5-yl)amino group at positions 1, 3, and 7, respectively. It is a dual inhibitor of ERK1 and RasGAP. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a secondary carboxamide, a member of benzamides, a member of pyrazoles, a member of toluenes, a pyrimidopyrimidine and a member of (trifluoromethyl)benzenes.
| CAS Number | 839707-37-8 |
| PubChem CID | 12003241 |
| IUPAC Name | N-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide |
| Molecular Formula | C27H25F3N8O2 |
| Molecular Weight | 550.5 |
| XLogP | 4 |
| Topological Polar Surface Area | 108 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 925 |
| Property | Value |
|---|---|
| Molecular Weight | 550.5 |
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 550.20525656 |
| Monoisotopic Mass | 550.20525656 |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 925 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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