1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one

C15H20FN3O2 — CID 119100448

IUPAC1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(Oc2ncnc(CC)c2F)C1
InChIInChI=1S/C15H20FN3O2/c1-3-5-6-13(20)19-8-7-11(9-19)21-15-14(16)12(4-2)17-10-18-15/h3,10-11H,1,4-9H2,2H3
InChIKeyGZJNYCASLJNFEJ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.12
Rot. Bonds6

About 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one

1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one (PubChem CID 119100448) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
PubChem CID119100448
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(Oc2ncnc(CC)c2F)C1
InChIInChI=1S/C15H20FN3O2/c1-3-5-6-13(20)19-8-7-11(9-19)21-15-14(16)12(4-2)17-10-18-15/h3,10-11H,1,4-9H2,2H3
InChIKeyGZJNYCASLJNFEJ-UHFFFAOYSA-N
XLogP2.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-((3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)sulfonyl)ethyl)piperidine-2,6-dione
CID 119100497
3-(2-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-oxoethyl)-5,6-dimethylpyrimidin-4(3H)-one
CID 121017713
4-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-1H-imidazol-2(3H)-one
CID 121017718
(5-Chloro-6-hydroxypyridin-3-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017728
2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 124856133
4-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 129355049
6-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-2-methylpyridazin-3(2H)-one
CID 91815902
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-methoxyethanone
CID 91815903
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(1-(methylsulfonyl)piperidin-4-yl)methanone
CID 91815905
2-Cyclopropyl-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
CID 91815907
4-Ethyl-5-fluoro-6-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 108152355
2-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-N-methylpropan-1-amine
CID 108152359

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one (CID 119100448) is 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCC(Oc2ncnc(CC)c2F)C1.
What is the InChIKey of 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one?
The InChIKey is GZJNYCASLJNFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-5-6-13(20)19-8-7-11(9-19)21-15-14(16)12(4-2)17-10-18-15/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one?
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one has a molecular weight of 293.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]pent-4-en-1-one is sourced from PubChem (CID 119100448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).