4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine

C18H20FN3O4S — CID 124846614

IUPAC4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)c1F
InChIInChI=1S/C18H20FN3O4S/c1-2-15-17(19)18(21-11-20-15)26-13-5-7-22(10-13)27(23,24)14-3-4-16-12(9-14)6-8-25-16/h3-4,9,11,13H,2,5-8,10H2,1H3/t13-/m1/s1
InChIKeyJBFFRKYVOBMYKD-CYBMUJFWSA-N
MW393.44 g/mol
LogP1.96
Rot. Bonds5

About 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine

4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine (PubChem CID 124846614) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine
PubChem CID124846614
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)c1F
InChIInChI=1S/C18H20FN3O4S/c1-2-15-17(19)18(21-11-20-15)26-13-5-7-22(10-13)27(23,24)14-3-4-16-12(9-14)6-8-25-16/h3-4,9,11,13H,2,5-8,10H2,1H3/t13-/m1/s1
InChIKeyJBFFRKYVOBMYKD-CYBMUJFWSA-N
XLogP1.96
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine
CID 124891195
4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 124892553
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163355188
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-(2,2,2-trifluoroethoxy)azetidine
CID 121175640
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carbaldehyde
CID 162360978
3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 100633882
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
2-[(3S)-1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)pyrrolidin-3-yl]oxyacetic acid
CID 166279474
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylate
CID 6930883
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 121017707

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine (CID 124846614) is 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine is CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)c1F.
What is the InChIKey of 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine?
The InChIKey is JBFFRKYVOBMYKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-2-15-17(19)18(21-11-20-15)26-13-5-7-22(10-13)27(23,24)14-3-4-16-12(9-14)6-8-25-16/h3-4,9,11,13H,2,5-8,10H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine?
4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine has a molecular weight of 393.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 124846614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).