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

C21H24F3N5O2 — CID 149309410

IUPAC(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one
SMILESCCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3cc(C(F)(F)F)ccn3)C2=O)nc1
InChIInChI=1S/C21H24F3N5O2/c1-4-14-9-26-19(27-10-14)29-12-18(13(2)3)28(20(29)31)11-17(30)8-16-7-15(5-6-25-16)21(22,23)24/h5-7,9-10,13,18H,4,8,11-12H2,1-3H3/t18-/m1/s1
InChIKeyXYHSSIVABGBNEZ-GOSISDBHSA-N
MW435.45 g/mol
LogP3.53
Rot. Bonds7

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

(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 149309410) 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-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one
PubChem CID149309410
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one
SMILESCCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3cc(C(F)(F)F)ccn3)C2=O)nc1
InChIInChI=1S/C21H24F3N5O2/c1-4-14-9-26-19(27-10-14)29-12-18(13(2)3)28(20(29)31)11-17(30)8-16-7-15(5-6-25-16)21(22,23)24/h5-7,9-10,13,18H,4,8,11-12H2,1-3H3/t18-/m1/s1
InChIKeyXYHSSIVABGBNEZ-GOSISDBHSA-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-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one (CID 149309410) is (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one is CCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3cc(C(F)(F)F)ccn3)C2=O)nc1.
What is the InChIKey of (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is XYHSSIVABGBNEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-4-14-9-26-19(27-10-14)29-12-18(13(2)3)28(20(29)31)11-17(30)8-16-7-15(5-6-25-16)21(22,23)24/h5-7,9-10,13,18H,4,8,11-12H2,1-3H3/t18-/m1/s1.
What are the key properties of (4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one?
(4S)-1-(5-ethylpyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-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-[4-(trifluoromethyl)-2-pyridinyl]propyl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 149309410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).