CJF
Summary
Name: | N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine |
Formula: | C11 H17 N5 O |
Formal charge: | 0 |
Formula weight: | 235.286 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ~{N}4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15) |
InChIKey | InChI | 1.03 | ODSBHVJNQBVQRW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(NC2CC2)cc(n1)N3CCOCC3 |
SMILES | CACTVS | 3.385 | Nc1nc(NC2CC2)cc(n1)N3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(nc(nc1N2CCOCC2)N)NC3CC3 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(nc(nc1N2CCOCC2)N)NC3CC3 |