2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide

C18H20ClFN6O2 — CID 90321809

IUPAC2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
SMILESCC[C@H](C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C18H20ClFN6O2/c1-3-11(2)14-9-26(17-22-7-13(20)8-23-17)18(28)25(14)10-16(27)24-15-6-12(19)4-5-21-15/h4-8,11,14H,3,9-10H2,1-2H3,(H,21,24,27)/t11-,14+/m0/s1
InChIKeyGLCICADYULLYIX-SMDDNHRTSA-N
MW406.85 g/mol
LogP2.96
Rot. Bonds6

About 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide

2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide (PubChem CID 90321809) has the molecular formula C18H20ClFN6O2 and a molecular weight of 406.85 g/mol. Its IUPAC name is 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
PubChem CID90321809
Molecular FormulaC18H20ClFN6O2
Molecular Weight406.85 g/mol
Exact Mass406.13
IUPAC Name2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
SMILESCC[C@H](C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C18H20ClFN6O2/c1-3-11(2)14-9-26(17-22-7-13(20)8-23-17)18(28)25(14)10-16(27)24-15-6-12(19)4-5-21-15/h4-8,11,14H,3,9-10H2,1-2H3,(H,21,24,27)/t11-,14+/m0/s1
InChIKeyGLCICADYULLYIX-SMDDNHRTSA-N
XLogP2.96
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.96
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]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide (CID 90321809) is 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide is CC[C@H](C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide?
The InChIKey is GLCICADYULLYIX-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H20ClFN6O2/c1-3-11(2)14-9-26(17-22-7-13(20)8-23-17)18(28)25(14)10-16(27)24-15-6-12(19)4-5-21-15/h4-8,11,14H,3,9-10H2,1-2H3,(H,21,24,27)/t11-,14+/m0/s1.
What are the key properties of 2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide?
2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide has a molecular weight of 406.85 g/mol, XLogP of 2.96, 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]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 90321809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).