N-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI008385
- Name
- N-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
- Molecular Formula
- C14H14N4O2
- Molecular Weight
- 270.1116757 g/mol
- Structure
-
- IUPAC Name
- N-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
- InChI
- InChI=1S/C14H14N4O2/c1-3-13(19)18-10-4-6-11(7-5-10)20-14-8-12(15-2)16-9-17-14/h3-9H,1H2,2H3,(H,18,19)(H,15,16,17)
- InChI Key
- QAITUQYVCCCHPJ-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1ccc(Oc2cc(NC)ncn2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
270.1116757 g/mol
Computed by RDKit
- logP
-
2.14
Computed by ALOGPS
- logS
-
-3.74
Computed by ALOGPS
- Heavy Atom Count
-
20
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
76.14 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.