3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one

C19H22F2N2O2 — CID 21089381

IUPAC3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one
SMILESCc1c(OCc2ccc(F)cc2F)nc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C19H22F2N2O2/c1-12-18(25-11-14-8-9-15(20)10-17(14)21)22-13(2)23(19(12)24)16-6-4-3-5-7-16/h8-10,16H,3-7,11H2,1-2H3
InChIKeyMOGUTLZUEAGAFN-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.22
Rot. Bonds4

About 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one

3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one (PubChem CID 21089381) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one
PubChem CID21089381
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one
SMILESCc1c(OCc2ccc(F)cc2F)nc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C19H22F2N2O2/c1-12-18(25-11-14-8-9-15(20)10-17(14)21)22-13(2)23(19(12)24)16-6-4-3-5-7-16/h8-10,16H,3-7,11H2,1-2H3
InChIKeyMOGUTLZUEAGAFN-UHFFFAOYSA-N
XLogP4.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one?
The IUPAC name of 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one (CID 21089381) is 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one?
The canonical SMILES for 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one is Cc1c(OCc2ccc(F)cc2F)nc(C)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one?
The InChIKey is MOGUTLZUEAGAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-12-18(25-11-14-8-9-15(20)10-17(14)21)22-13(2)23(19(12)24)16-6-4-3-5-7-16/h8-10,16H,3-7,11H2,1-2H3.
What are the key properties of 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one?
3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one has a molecular weight of 348.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 21089381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).