4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine

C21H24FN5O2S — CID 15521231

IUPAC4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine
SMILESCS(=O)c1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1
InChIInChI=1S/C21H24FN5O2S/c1-30(28)21-23-8-7-18(25-21)20-19(16-3-5-17(22)6-4-16)24-15-27(20)10-2-9-26-11-13-29-14-12-26/h3-8,15H,2,9-14H2,1H3
InChIKeyOAGKJAFFWNYRCK-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.61
Rot. Bonds7

About 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine

4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine (PubChem CID 15521231) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine
PubChem CID15521231
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC Name4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine
SMILESCS(=O)c1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1
InChIInChI=1S/C21H24FN5O2S/c1-30(28)21-23-8-7-18(25-21)20-19(16-3-5-17(22)6-4-16)24-15-27(20)10-2-9-26-11-13-29-14-12-26/h3-8,15H,2,9-14H2,1H3
InChIKeyOAGKJAFFWNYRCK-UHFFFAOYSA-N
XLogP2.61
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine (CID 15521231) is 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine is CS(=O)c1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine?
The InChIKey is OAGKJAFFWNYRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/c1-30(28)21-23-8-7-18(25-21)20-19(16-3-5-17(22)6-4-16)24-15-27(20)10-2-9-26-11-13-29-14-12-26/h3-8,15H,2,9-14H2,1H3.
What are the key properties of 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine?
4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine has a molecular weight of 429.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 15521231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).