trimetrexate
5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
| Molecular Formula | C19H23N5O3 |
|---|---|
| Molecular Weight | 369.4 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.18008 |
| Heavy Atoms | 27 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 52128-35-5 |
|---|---|
| SMILES | CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | NOYPYLRCIDNJJB-UHFFFAOYSA-N |
📖 Product Overview
trimetrexate (CAS: 52128-35-5) is a chemical compound with molecular formula C19H23N5O3 and molecular weight 369.4 g/mol. Its IUPAC systematic name is 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine.
NOYPYLRCIDNJJB-UHFFFAOYSA-N.
SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.
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