2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C20H20F6N6O2 — CID 90321931

IUPAC2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC[C@H](C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H20F6N6O2/c1-3-11(2)14-9-32(17-28-7-13(8-29-17)20(24,25)26)18(34)31(14)10-16(33)30-15-6-12(4-5-27-15)19(21,22)23/h4-8,11,14H,3,9-10H2,1-2H3,(H,27,30,33)/t11-,14+/m0/s1
InChIKeyWAPUYGCRVFAGDV-SMDDNHRTSA-N
MW490.41 g/mol
LogP4.20
Rot. Bonds6

About 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 90321931) has the molecular formula C20H20F6N6O2 and a molecular weight of 490.41 g/mol. Its IUPAC name is 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID90321931
Molecular FormulaC20H20F6N6O2
Molecular Weight490.41 g/mol
Exact Mass490.16
IUPAC Name2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC[C@H](C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H20F6N6O2/c1-3-11(2)14-9-32(17-28-7-13(8-29-17)20(24,25)26)18(34)31(14)10-16(33)30-15-6-12(4-5-27-15)19(21,22)23/h4-8,11,14H,3,9-10H2,1-2H3,(H,27,30,33)/t11-,14+/m0/s1
InChIKeyWAPUYGCRVFAGDV-SMDDNHRTSA-N
XLogP4.20
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 90321931) is 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is CC[C@H](C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is WAPUYGCRVFAGDV-SMDDNHRTSA-N. The full InChI is InChI=1S/C20H20F6N6O2/c1-3-11(2)14-9-32(17-28-7-13(8-29-17)20(24,25)26)18(34)31(14)10-16(33)30-15-6-12(4-5-27-15)19(21,22)23/h4-8,11,14H,3,9-10H2,1-2H3,(H,27,30,33)/t11-,14+/m0/s1.
What are the key properties of 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 490.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 90321931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).