2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone

C15H20FN3O2 — CID 124856133

IUPAC2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)CC3CC3)C2)c1F
InChIInChI=1S/C15H20FN3O2/c1-2-12-14(16)15(18-9-17-12)21-11-5-6-19(8-11)13(20)7-10-3-4-10/h9-11H,2-8H2,1H3/t11-/m0/s1
InChIKeyZWZBBDBJQKJGJU-NSHDSACASA-N
MW293.34 g/mol
LogP1.96
Rot. Bonds5

About 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone

2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 124856133) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID124856133
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)CC3CC3)C2)c1F
InChIInChI=1S/C15H20FN3O2/c1-2-12-14(16)15(18-9-17-12)21-11-5-6-19(8-11)13(20)7-10-3-4-10/h9-11H,2-8H2,1H3/t11-/m0/s1
InChIKeyZWZBBDBJQKJGJU-NSHDSACASA-N
XLogP1.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone with MolForge

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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
4-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 129355049
2,2,2-Trifluoro-1-[4-(2-methylpropoxy)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]ethanone
CID 118236749
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-3-yloxypyrimidine
CID 108152361
2-(Cyclopentylthio)-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
CID 119100438
3-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-1-methylpyridin-2(1H)-one
CID 119100442

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone (CID 124856133) is 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone is CCc1ncnc(O[C@H]2CCN(C(=O)CC3CC3)C2)c1F.
What is the InChIKey of 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is ZWZBBDBJQKJGJU-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-2-12-14(16)15(18-9-17-12)21-11-5-6-19(8-11)13(20)7-10-3-4-10/h9-11H,2-8H2,1H3/t11-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 293.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124856133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).