1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C15H22FN3O2 — CID 119100453

IUPAC1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1ncnc(OC2CCN(C(=O)C(C)(C)C)C2)c1F
InChIInChI=1S/C15H22FN3O2/c1-5-11-12(16)13(18-9-17-11)21-10-6-7-19(8-10)14(20)15(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyUCVTXUWUGSMGRF-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.20
Rot. Bonds3

About 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 119100453) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID119100453
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1ncnc(OC2CCN(C(=O)C(C)(C)C)C2)c1F
InChIInChI=1S/C15H22FN3O2/c1-5-11-12(16)13(18-9-17-11)21-10-6-7-19(8-10)14(20)15(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyUCVTXUWUGSMGRF-UHFFFAOYSA-N
XLogP2.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4-ethyl-5-fluoro-6-[(3S)-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
CID 124759329
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
tert-butyl (8S)-8-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 68337991
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 119100453) is 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CCc1ncnc(OC2CCN(C(=O)C(C)(C)C)C2)c1F.
What is the InChIKey of 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is UCVTXUWUGSMGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-5-11-12(16)13(18-9-17-11)21-10-6-7-19(8-10)14(20)15(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 295.36 g/mol, XLogP of 2.20, 3 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]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 119100453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).