4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine

C19H19ClF2N2O — CID 175832434

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine
SMILESCCC1CC=C(c2ncc(F)c(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C19H19ClF2N2O/c1-2-12-3-5-13(6-4-12)18-23-10-17(22)19(24-18)25-11-14-7-8-15(20)9-16(14)21/h5,7-10,12H,2-4,6,11H2,1H3
InChIKeyYBIWTMOXEPAXGK-UHFFFAOYSA-N
MW364.82 g/mol
LogP5.58
Rot. Bonds5

About 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine

4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine (PubChem CID 175832434) has the molecular formula C19H19ClF2N2O and a molecular weight of 364.82 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine
PubChem CID175832434
Molecular FormulaC19H19ClF2N2O
Molecular Weight364.82 g/mol
Exact Mass364.12
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine
SMILESCCC1CC=C(c2ncc(F)c(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C19H19ClF2N2O/c1-2-12-3-5-13(6-4-12)18-23-10-17(22)19(24-18)25-11-14-7-8-15(20)9-16(14)21/h5,7-10,12H,2-4,6,11H2,1H3
InChIKeyYBIWTMOXEPAXGK-UHFFFAOYSA-N
XLogP5.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.82
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine (CID 175832434) is 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine is CCC1CC=C(c2ncc(F)c(OCc3ccc(Cl)cc3F)n2)CC1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine?
The InChIKey is YBIWTMOXEPAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O/c1-2-12-3-5-13(6-4-12)18-23-10-17(22)19(24-18)25-11-14-7-8-15(20)9-16(14)21/h5,7-10,12H,2-4,6,11H2,1H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine?
4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine has a molecular weight of 364.82 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 175832434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).