XX8
Summary
| Name: | {3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol |
| Formula: | C13 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 229.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol |
| OpenEye OEToolkits | 1.7.6 | [3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]phenyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(N)c(cnc1C)Cc2cccc(c2)CO |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O/c1-9-15-7-12(13(14)16-9)6-10-3-2-4-11(5-10)8-17/h2-5,7,17H,6,8H2,1H3,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | WCYNVVXZGIHJNV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(Cc2cccc(CO)c2)c(N)n1 |
| SMILES | CACTVS | 3.385 | Cc1ncc(Cc2cccc(CO)c2)c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ncc(c(n1)N)Cc2cccc(c2)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ncc(c(n1)N)Cc2cccc(c2)CO |
