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

C18H19ClF3N5O3 — CID 90347651

IUPAC3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H19ClF3N5O3/c1-10(11-6-12(19)14(24-7-11)29-9-18(20,21)22)25-15-23-5-4-13(26-15)27-16(28)30-8-17(27,2)3/h4-7,10H,8-9H2,1-3H3,(H,23,25,26)/t10-/m0/s1
InChIKeyRODRKKVXRCCNSS-JTQLQIEISA-N
MW445.83 g/mol
LogP4.37
Rot. Bonds6

About 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-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-dimethyl-1,3-oxazolidin-2-one (PubChem CID 90347651) has the molecular formula C18H19ClF3N5O3 and a molecular weight of 445.83 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-dimethyl-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-dimethyl-1,3-oxazolidin-2-one
PubChem CID90347651
Molecular FormulaC18H19ClF3N5O3
Molecular Weight445.83 g/mol
Exact Mass445.11
IUPAC Name3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H19ClF3N5O3/c1-10(11-6-12(19)14(24-7-11)29-9-18(20,21)22)25-15-23-5-4-13(26-15)27-16(28)30-8-17(27,2)3/h4-7,10H,8-9H2,1-3H3,(H,23,25,26)/t10-/m0/s1
InChIKeyRODRKKVXRCCNSS-JTQLQIEISA-N
XLogP4.37
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.83
LogP ≤ 54.37
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-dimethyl-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-dimethyl-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-dimethyl-1,3-oxazolidin-2-one (CID 90347651) is 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-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-dimethyl-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-dimethyl-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1.
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-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is RODRKKVXRCCNSS-JTQLQIEISA-N. The full InChI is InChI=1S/C18H19ClF3N5O3/c1-10(11-6-12(19)14(24-7-11)29-9-18(20,21)22)25-15-23-5-4-13(26-15)27-16(28)30-8-17(27,2)3/h4-7,10H,8-9H2,1-3H3,(H,23,25,26)/t10-/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-dimethyl-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-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 445.83 g/mol, XLogP of 4.37, 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-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).