4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine

C16H19FN4O — CID 155975774

IUPAC4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCC(Oc3ccncc3C)C2)c1F
InChIInChI=1S/C16H19FN4O/c1-3-13-15(17)16(20-10-19-13)21-7-5-12(9-21)22-14-4-6-18-8-11(14)2/h4,6,8,10,12H,3,5,7,9H2,1-2H3
InChIKeyAJXIYAKXORZIAI-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.54
Rot. Bonds4

About 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine (PubChem CID 155975774) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine
PubChem CID155975774
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCC(Oc3ccncc3C)C2)c1F
InChIInChI=1S/C16H19FN4O/c1-3-13-15(17)16(20-10-19-13)21-7-5-12(9-21)22-14-4-6-18-8-11(14)2/h4,6,8,10,12H,3,5,7,9H2,1-2H3
InChIKeyAJXIYAKXORZIAI-UHFFFAOYSA-N
XLogP2.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 155976329
4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 154582809
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
CID 155975796
1-[(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400680
3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 155975703
2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
CID 154781851
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
CID 166605850
[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434886
(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 129355599

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine (CID 155975774) is 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine is CCc1ncnc(N2CCC(Oc3ccncc3C)C2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine?
The InChIKey is AJXIYAKXORZIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-3-13-15(17)16(20-10-19-13)21-7-5-12(9-21)22-14-4-6-18-8-11(14)2/h4,6,8,10,12H,3,5,7,9H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine has a molecular weight of 302.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 155975774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).