5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one

C21H29N3O4S — CID 160777086

IUPAC5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
SMILESCc1c(CS(=O)(=O)C(C)C)nc(OC2CCCC2)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C21H29N3O4S/c1-13(2)29(26,27)12-18-15(4)19(16-10-14(3)20(25)24(5)11-16)23-21(22-18)28-17-8-6-7-9-17/h10-11,13,17H,6-9,12H2,1-5H3
InChIKeySABYXGCXADYRBJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.10
Rot. Bonds6

About 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one

5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one (PubChem CID 160777086) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
PubChem CID160777086
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
SMILESCc1c(CS(=O)(=O)C(C)C)nc(OC2CCCC2)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C21H29N3O4S/c1-13(2)29(26,27)12-18-15(4)19(16-10-14(3)20(25)24(5)11-16)23-21(22-18)28-17-8-6-7-9-17/h10-11,13,17H,6-9,12H2,1-5H3
InChIKeySABYXGCXADYRBJ-UHFFFAOYSA-N
XLogP3.10
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one with MolForge

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Related Compounds

5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
5-[2-(2,5-dichlorophenoxy)-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
CID 159686923
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
5-[2-cyclohexyl-3-(2-methoxypropyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 157220948
5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 123566879
5-[2-(4,4-difluorocyclohexyl)-3-[(2S)-2-methoxypropyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane
CID 158770711
5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 158074275
5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one
CID 134311065
N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide
CID 122623685
5-[2-cyclopropyl-6-(ethylsulfonylmethyl)-1-methylbenzimidazol-4-yl]-1,3-dimethylpyridin-2-one
CID 147751988
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 152809643

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one (CID 160777086) is 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one is Cc1c(CS(=O)(=O)C(C)C)nc(OC2CCCC2)nc1-c1cc(C)c(=O)n(C)c1.
What is the InChIKey of 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is SABYXGCXADYRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-13(2)29(26,27)12-18-15(4)19(16-10-14(3)20(25)24(5)11-16)23-21(22-18)28-17-8-6-7-9-17/h10-11,13,17H,6-9,12H2,1-5H3.
What are the key properties of 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one?
5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 419.55 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 160777086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).