5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine

C26H34F2N2O — CID 67968630

IUPAC5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine
SMILESCCCC1CCC(c2ccc(C3CCC(c4cnc(CC)nc4)OC3)c(F)c2F)CC1
InChIInChI=1S/C26H34F2N2O/c1-3-5-17-6-8-18(9-7-17)21-11-12-22(26(28)25(21)27)19-10-13-23(31-16-19)20-14-29-24(4-2)30-15-20/h11-12,14-15,17-19,23H,3-10,13,16H2,1-2H3
InChIKeyGHPIUBFTMCPEAH-UHFFFAOYSA-N
MW428.57 g/mol
LogP7.03
Rot. Bonds6

About 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine

5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine (PubChem CID 67968630) has the molecular formula C26H34F2N2O and a molecular weight of 428.57 g/mol. Its IUPAC name is 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine.

Molecular Properties

Compound Name5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine
PubChem CID67968630
Molecular FormulaC26H34F2N2O
Molecular Weight428.57 g/mol
Exact Mass428.26
IUPAC Name5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine
SMILESCCCC1CCC(c2ccc(C3CCC(c4cnc(CC)nc4)OC3)c(F)c2F)CC1
InChIInChI=1S/C26H34F2N2O/c1-3-5-17-6-8-18(9-7-17)21-11-12-22(26(28)25(21)27)19-10-13-23(31-16-19)20-14-29-24(4-2)30-15-20/h11-12,14-15,17-19,23H,3-10,13,16H2,1-2H3
InChIKeyGHPIUBFTMCPEAH-UHFFFAOYSA-N
XLogP7.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535326
5-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 67968714
2-[3,4,5-trifluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]oxirane
CID 89069191
5-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2-(5-propyloxan-2-yl)pyrimidine
CID 67968682
2-[4-[2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]cyclohexyl]ethyl]-3-fluorophenyl]oxirane
CID 88964043
2-[4-[4-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]methyl]cyclohexyl]-2-fluorophenyl]oxirane
CID 89124555
2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-5-(6-propyloxan-3-yl)pyridine
CID 67968653
5-[5-(4-ethoxy-2,3-difluorophenyl)oxan-2-yl]-2-(4-propylcyclohexyl)-1,4-dihydropyrimidine
CID 70797892
2-[3-chloro-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]oxirane
CID 89021617
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine?
The IUPAC name of 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine (CID 67968630) is 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine.
What is the SMILES notation for 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine?
The canonical SMILES for 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine is CCCC1CCC(c2ccc(C3CCC(c4cnc(CC)nc4)OC3)c(F)c2F)CC1.
What is the InChIKey of 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine?
The InChIKey is GHPIUBFTMCPEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N2O/c1-3-5-17-6-8-18(9-7-17)21-11-12-22(26(28)25(21)27)19-10-13-23(31-16-19)20-14-29-24(4-2)30-15-20/h11-12,14-15,17-19,23H,3-10,13,16H2,1-2H3.
What are the key properties of 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine?
5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine has a molecular weight of 428.57 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine is sourced from PubChem (CID 67968630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).