3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one

C19H21ClF3N5O3 — CID 89489892

IUPAC3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1OC(=O)N(c2ccnc(N[C@@H](C)c3cnc(OCC(F)(F)F)c(Cl)c3)n2)C1(C)C
InChIInChI=1S/C19H21ClF3N5O3/c1-10(12-7-13(20)15(25-8-12)30-9-19(21,22)23)26-16-24-6-5-14(27-16)28-17(29)31-11(2)18(28,3)4/h5-8,10-11H,9H2,1-4H3,(H,24,26,27)/t10-,11?/m0/s1
InChIKeyAWDKKIGCXUEVFC-VUWPPUDQSA-N
MW459.86 g/mol
LogP4.76
Rot. Bonds6

About 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 89489892) has the molecular formula C19H21ClF3N5O3 and a molecular weight of 459.86 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID89489892
Molecular FormulaC19H21ClF3N5O3
Molecular Weight459.86 g/mol
Exact Mass459.13
IUPAC Name3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1OC(=O)N(c2ccnc(N[C@@H](C)c3cnc(OCC(F)(F)F)c(Cl)c3)n2)C1(C)C
InChIInChI=1S/C19H21ClF3N5O3/c1-10(12-7-13(20)15(25-8-12)30-9-19(21,22)23)26-16-24-6-5-14(27-16)28-17(29)31-11(2)18(28,3)4/h5-8,10-11H,9H2,1-4H3,(H,24,26,27)/t10-,11?/m0/s1
InChIKeyAWDKKIGCXUEVFC-VUWPPUDQSA-N
XLogP4.76
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.86
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one (CID 89489892) is 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one is CC1OC(=O)N(c2ccnc(N[C@@H](C)c3cnc(OCC(F)(F)F)c(Cl)c3)n2)C1(C)C.
What is the InChIKey of 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is AWDKKIGCXUEVFC-VUWPPUDQSA-N. The full InChI is InChI=1S/C19H21ClF3N5O3/c1-10(12-7-13(20)15(25-8-12)30-9-19(21,22)23)26-16-24-6-5-14(27-16)28-17(29)31-11(2)18(28,3)4/h5-8,10-11H,9H2,1-4H3,(H,24,26,27)/t10-,11?/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 459.86 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).