K07
Summary
| Name: | 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine |
| Formula: | C10 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 227.691 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.6 | 5-chloranyl-~{N}-methyl-~{N}-[[(3~{R})-oxolan-3-yl]methyl]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(N(CC1COCC1)C)c(cnc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | OYKZBUOZAYBEHE-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C[C@H]1CCOC1)c2ncncc2Cl |
| SMILES | CACTVS | 3.385 | CN(C[CH]1CCOC1)c2ncncc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C[C@H]1CCOC1)c2c(cncn2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CC1CCOC1)c2c(cncn2)Cl |
