4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine

C17H18FN3O3S — CID 118676072

IUPAC4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine
SMILESO=S(=O)(C1CC1)N1CCC(Oc2cc(F)ccc2-c2ccncn2)C1
InChIInChI=1S/C17H18FN3O3S/c18-12-1-4-15(16-5-7-19-11-20-16)17(9-12)24-13-6-8-21(10-13)25(22,23)14-2-3-14/h1,4-5,7,9,11,13-14H,2-3,6,8,10H2
InChIKeyKJYQFVVEJWXERA-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.23
Rot. Bonds5

About 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine

4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine (PubChem CID 118676072) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine.

Molecular Properties

Compound Name4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine
PubChem CID118676072
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine
SMILESO=S(=O)(C1CC1)N1CCC(Oc2cc(F)ccc2-c2ccncn2)C1
InChIInChI=1S/C17H18FN3O3S/c18-12-1-4-15(16-5-7-19-11-20-16)17(9-12)24-13-6-8-21(10-13)25(22,23)14-2-3-14/h1,4-5,7,9,11,13-14H,2-3,6,8,10H2
InChIKeyKJYQFVVEJWXERA-UHFFFAOYSA-N
XLogP2.23
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluorophenyl]pyrimidine
CID 118675923
4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine
CID 118675975
2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide
CID 139383917
2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine
CID 91626995
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol
CID 139384078
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626871
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine
CID 133348527
4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine
CID 118675921
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
CID 122160912

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine?
The IUPAC name of 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine (CID 118676072) is 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine.
What is the SMILES notation for 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine?
The canonical SMILES for 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine is O=S(=O)(C1CC1)N1CCC(Oc2cc(F)ccc2-c2ccncn2)C1.
What is the InChIKey of 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine?
The InChIKey is KJYQFVVEJWXERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-12-1-4-15(16-5-7-19-11-20-16)17(9-12)24-13-6-8-21(10-13)25(22,23)14-2-3-14/h1,4-5,7,9,11,13-14H,2-3,6,8,10H2.
What are the key properties of 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine?
4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine has a molecular weight of 363.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine is sourced from PubChem (CID 118676072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).