KUP
Summary
| Name: | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine |
| Formula: | C13 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 260.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 2.0.6 | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc2ncc(Cc1ccc(c(OC)c1)OC)c(n2)N |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17) |
| InChIKey | InChI | 1.03 | LDBTVAXGKYIFHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cc2cnc(N)nc2N)cc1OC |
| SMILES | CACTVS | 3.385 | COc1ccc(Cc2cnc(N)nc2N)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1OC)Cc2cnc(nc2N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1OC)Cc2cnc(nc2N)N |
