(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one

C21H24F3N5O2 — CID 146888794

IUPAC(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one
SMILESCCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3ccc(C(F)(F)F)nc3)C2=O)nc1
InChIInChI=1S/C21H24F3N5O2/c1-4-14-8-26-19(27-9-14)29-12-17(13(2)3)28(20(29)31)11-16(30)7-15-5-6-18(25-10-15)21(22,23)24/h5-6,8-10,13,17H,4,7,11-12H2,1-3H3/t17-/m1/s1
InChIKeySYIHDYVBKRUSOC-QGZVFWFLSA-N
MW435.45 g/mol
LogP3.53
Rot. Bonds7

About (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one

(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 146888794) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one
PubChem CID146888794
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one
SMILESCCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3ccc(C(F)(F)F)nc3)C2=O)nc1
InChIInChI=1S/C21H24F3N5O2/c1-4-14-8-26-19(27-9-14)29-12-17(13(2)3)28(20(29)31)11-16(30)7-15-5-6-18(25-10-15)21(22,23)24/h5-6,8-10,13,17H,4,7,11-12H2,1-3H3/t17-/m1/s1
InChIKeySYIHDYVBKRUSOC-QGZVFWFLSA-N
XLogP3.53
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one (CID 146888794) is (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one is CCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3ccc(C(F)(F)F)nc3)C2=O)nc1.
What is the InChIKey of (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is SYIHDYVBKRUSOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-4-14-8-26-19(27-9-14)29-12-17(13(2)3)28(20(29)31)11-16(30)7-15-5-6-18(25-10-15)21(22,23)24/h5-6,8-10,13,17H,4,7,11-12H2,1-3H3/t17-/m1/s1.
What are the key properties of (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one?
(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 435.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 146888794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).