2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine

C24H26F2N4O2 — CID 44608209

IUPAC2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccncc4OC)cc3F)CC2)nc1
InChIInChI=1S/C24H26F2N4O2/c1-3-16-12-28-24(29-13-16)30-8-5-17(6-9-30)15-32-23-20(25)10-18(11-21(23)26)19-4-7-27-14-22(19)31-2/h4,7,10-14,17H,3,5-6,8-9,15H2,1-2H3
InChIKeyDQVRRARCQGXILN-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.68
Rot. Bonds7

About 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine

2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine (PubChem CID 44608209) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
PubChem CID44608209
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccncc4OC)cc3F)CC2)nc1
InChIInChI=1S/C24H26F2N4O2/c1-3-16-12-28-24(29-13-16)30-8-5-17(6-9-30)15-32-23-20(25)10-18(11-21(23)26)19-4-7-27-14-22(19)31-2/h4,7,10-14,17H,3,5-6,8-9,15H2,1-2H3
InChIKeyDQVRRARCQGXILN-UHFFFAOYSA-N
XLogP4.68
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The IUPAC name of 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine (CID 44608209) is 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine is CCc1cnc(N2CCC(COc3c(F)cc(-c4ccncc4OC)cc3F)CC2)nc1.
What is the InChIKey of 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The InChIKey is DQVRRARCQGXILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-3-16-12-28-24(29-13-16)30-8-5-17(6-9-30)15-32-23-20(25)10-18(11-21(23)26)19-4-7-27-14-22(19)31-2/h4,7,10-14,17H,3,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine has a molecular weight of 440.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,6-difluoro-4-(3-methoxy-4-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine is sourced from PubChem (CID 44608209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).