5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one

C24H26FN3O5S — CID 160782960

IUPAC5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCCCS(=O)(=O)Cc1cc(-c2ccc(=O)n(C)c2)nc(Oc2c(F)cccc2OCC2CC2)n1
InChIInChI=1S/C24H26FN3O5S/c1-3-11-34(30,31)15-18-12-20(17-9-10-22(29)28(2)13-17)27-24(26-18)33-23-19(25)5-4-6-21(23)32-14-16-7-8-16/h4-6,9-10,12-13,16H,3,7-8,11,14-15H2,1-2H3
InChIKeySAUZKZAKVZRFCI-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.89
Rot. Bonds10

About 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one

5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one (PubChem CID 160782960) has the molecular formula C24H26FN3O5S and a molecular weight of 487.55 g/mol. Its IUPAC name is 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
PubChem CID160782960
Molecular FormulaC24H26FN3O5S
Molecular Weight487.55 g/mol
Exact Mass487.16
IUPAC Name5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCCCS(=O)(=O)Cc1cc(-c2ccc(=O)n(C)c2)nc(Oc2c(F)cccc2OCC2CC2)n1
InChIInChI=1S/C24H26FN3O5S/c1-3-11-34(30,31)15-18-12-20(17-9-10-22(29)28(2)13-17)27-24(26-18)33-23-19(25)5-4-6-21(23)32-14-16-7-8-16/h4-6,9-10,12-13,16H,3,7-8,11,14-15H2,1-2H3
InChIKeySAUZKZAKVZRFCI-UHFFFAOYSA-N
XLogP3.89
TPSA100.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(2-chloro-6-fluorophenoxy)-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 159896986
5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 159393817
2-[4-(butylsulfonylmethyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]oxy-5-fluoro-3-methylbenzonitrile
CID 157303082
5-[2-[2-fluoro-6-(trifluoromethyl)phenoxy]-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 146845655
5-[4-(butylsulfonylmethyl)-6-(2-fluoro-6-methylphenoxy)pyrimidin-2-yl]-1-methylpyridin-2-one
CID 157463021
5-[6-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2-(2-fluoro-6-methylphenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 160989743
5-[6-[2-(4-ethylphenyl)propyl]-2-(2-fluoro-6-methylphenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 158201888
5-[6-(butylsulfonylmethyl)-2-(2-chloro-6-methylphenoxy)pyrimidin-4-yl]-3-chloro-1-methylpyridin-2-one
CID 160663487
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
CID 90027888
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
N-[5-(cyclopropylmethoxy)-4-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)pyrimidin-2-yl]ethanesulfonamide
CID 118022460

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one (CID 160782960) is 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one is CCCS(=O)(=O)Cc1cc(-c2ccc(=O)n(C)c2)nc(Oc2c(F)cccc2OCC2CC2)n1.
What is the InChIKey of 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is SAUZKZAKVZRFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5S/c1-3-11-34(30,31)15-18-12-20(17-9-10-22(29)28(2)13-17)27-24(26-18)33-23-19(25)5-4-6-21(23)32-14-16-7-8-16/h4-6,9-10,12-13,16H,3,7-8,11,14-15H2,1-2H3.
What are the key properties of 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one?
5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 487.55 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 160782960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).