4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C19H21F3N4O2 — CID 123835719

IUPAC4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N4O2/c1-11(2)15-10-28-18(27)26(15)16-8-9-23-17(25-16)24-12(3)13-6-4-5-7-14(13)19(20,21)22/h4-9,11-12,15H,10H2,1-3H3,(H,23,24,25)
InChIKeyFNTKPJAKUYJSBC-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.65
Rot. Bonds5

About 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 123835719) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID123835719
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N4O2/c1-11(2)15-10-28-18(27)26(15)16-8-9-23-17(25-16)24-12(3)13-6-4-5-7-14(13)19(20,21)22/h4-9,11-12,15H,10H2,1-3H3,(H,23,24,25)
InChIKeyFNTKPJAKUYJSBC-UHFFFAOYSA-N
XLogP4.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 123835719) is 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is FNTKPJAKUYJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-11(2)15-10-28-18(27)26(15)16-8-9-23-17(25-16)24-12(3)13-6-4-5-7-14(13)19(20,21)22/h4-9,11-12,15H,10H2,1-3H3,(H,23,24,25).
What are the key properties of 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 394.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123835719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).