3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C17H19FN4O3 — CID 119100442

IUPAC3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCc1ncnc(OC2CCN(C(=O)c3cccn(C)c3=O)C2)c1F
InChIInChI=1S/C17H19FN4O3/c1-3-13-14(18)15(20-10-19-13)25-11-6-8-22(9-11)17(24)12-5-4-7-21(2)16(12)23/h4-5,7,10-11H,3,6,8-9H2,1-2H3
InChIKeyDCTQMKBLULUGFQ-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.17
Rot. Bonds4

About 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 119100442) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID119100442
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCc1ncnc(OC2CCN(C(=O)c3cccn(C)c3=O)C2)c1F
InChIInChI=1S/C17H19FN4O3/c1-3-13-14(18)15(20-10-19-13)25-11-6-8-22(9-11)17(24)12-5-4-7-21(2)16(12)23/h4-5,7,10-11H,3,6,8-9H2,1-2H3
InChIKeyDCTQMKBLULUGFQ-UHFFFAOYSA-N
XLogP1.17
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-Cyclopropyl-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
CID 91815907
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)pent-4-en-1-one
CID 119100448
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 119100453
(E)-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-3-phenylprop-2-en-1-one
CID 119100455
(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 119100476

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 119100442) is 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is CCc1ncnc(OC2CCN(C(=O)c3cccn(C)c3=O)C2)c1F.
What is the InChIKey of 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is DCTQMKBLULUGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-3-13-14(18)15(20-10-19-13)25-11-6-8-22(9-11)17(24)12-5-4-7-21(2)16(12)23/h4-5,7,10-11H,3,6,8-9H2,1-2H3.
What are the key properties of 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 346.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 119100442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).