4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine

C20H21FN6O — CID 154582809

IUPAC4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)c1F
InChIInChI=1S/C20H21FN6O/c1-2-17-18(21)19(26-13-25-17)27-9-5-16(6-10-27)28-20-23-11-15(12-24-20)14-3-7-22-8-4-14/h3-4,7-8,11-13,16H,2,5-6,9-10H2,1H3
InChIKeyOGGPNMIVXDSPIN-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.08
Rot. Bonds5

About 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine (PubChem CID 154582809) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
PubChem CID154582809
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)c1F
InChIInChI=1S/C20H21FN6O/c1-2-17-18(21)19(26-13-25-17)27-9-5-16(6-10-27)28-20-23-11-15(12-24-20)14-3-7-22-8-4-14/h3-4,7-8,11-13,16H,2,5-6,9-10H2,1H3
InChIKeyOGGPNMIVXDSPIN-UHFFFAOYSA-N
XLogP3.08
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine
CID 155975774
4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 139022951
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine
CID 154583495
(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583874
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
4-ethyl-5-fluoro-6-[4-[4-(4-methylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 146079500
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154830090
1-[(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400680
5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
CID 72881279
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
CID 125138301

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine (CID 154582809) is 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine is CCc1ncnc(N2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The InChIKey is OGGPNMIVXDSPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-2-17-18(21)19(26-13-25-17)27-9-5-16(6-10-27)28-20-23-11-15(12-24-20)14-3-7-22-8-4-14/h3-4,7-8,11-13,16H,2,5-6,9-10H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine has a molecular weight of 380.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine is sourced from PubChem (CID 154582809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).