(2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol

C20H25F3N6O2 — CID 70644031

IUPAC(2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCC[C@@H](CO)CC(C)Nc1nc(NCC(F)(F)F)nc(C)c1-c1nc2cnccc2o1
InChIInChI=1S/C20H25F3N6O2/c1-4-13(9-30)7-11(2)26-17-16(18-28-14-8-24-6-5-15(14)31-18)12(3)27-19(29-17)25-10-20(21,22)23/h5-6,8,11,13,30H,4,7,9-10H2,1-3H3,(H2,25,26,27,29)/t11?,13-/m1/s1
InChIKeyLTAQAZQDJNEHGD-GLGOKHISSA-N
MW438.45 g/mol
LogP4.17
Rot. Bonds9

About (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol

(2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 70644031) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID70644031
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name(2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCC[C@@H](CO)CC(C)Nc1nc(NCC(F)(F)F)nc(C)c1-c1nc2cnccc2o1
InChIInChI=1S/C20H25F3N6O2/c1-4-13(9-30)7-11(2)26-17-16(18-28-14-8-24-6-5-15(14)31-18)12(3)27-19(29-17)25-10-20(21,22)23/h5-6,8,11,13,30H,4,7,9-10H2,1-3H3,(H2,25,26,27,29)/t11?,13-/m1/s1
InChIKeyLTAQAZQDJNEHGD-GLGOKHISSA-N
XLogP4.17
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol (CID 70644031) is (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol is CC[C@@H](CO)CC(C)Nc1nc(NCC(F)(F)F)nc(C)c1-c1nc2cnccc2o1.
What is the InChIKey of (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is LTAQAZQDJNEHGD-GLGOKHISSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c1-4-13(9-30)7-11(2)26-17-16(18-28-14-8-24-6-5-15(14)31-18)12(3)27-19(29-17)25-10-20(21,22)23/h5-6,8,11,13,30H,4,7,9-10H2,1-3H3,(H2,25,26,27,29)/t11?,13-/m1/s1.
What are the key properties of (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol?
(2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 438.45 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-[[6-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 70644031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).