5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one

C18H27N3O4S — CID 159639107

IUPAC5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one
SMILESCCCCc1cnc(CS(O)(O)CC)nc1-c1cc(OC)c(=O)n(C)c1
InChIInChI=1S/C18H27N3O4S/c1-5-7-8-13-10-19-16(12-26(23,24)6-2)20-17(13)14-9-15(25-4)18(22)21(3)11-14/h9-11,23-24H,5-8,12H2,1-4H3
InChIKeyMQCUBWIPSFXNSE-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.46
Rot. Bonds8

About 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one

5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one (PubChem CID 159639107) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one
PubChem CID159639107
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one
SMILESCCCCc1cnc(CS(O)(O)CC)nc1-c1cc(OC)c(=O)n(C)c1
InChIInChI=1S/C18H27N3O4S/c1-5-7-8-13-10-19-16(12-26(23,24)6-2)20-17(13)14-9-15(25-4)18(22)21(3)11-14/h9-11,23-24H,5-8,12H2,1-4H3
InChIKeyMQCUBWIPSFXNSE-UHFFFAOYSA-N
XLogP3.46
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(2,4-difluorophenoxy)-2-(ethylsulfonylmethyl)pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one
CID 147093073
5-(5-butyl-2-methylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one;sulfur dioxide
CID 160545351
5-[5-(1,1-difluorobutyl)-2-(methylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
CID 148812031
N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
CID 126611930
4-(2-amino-5-butylpyrimidin-4-yl)-2-methylisoquinolin-1-one
CID 134310943
(5-butyl-4-methoxy-2-pyridinyl)methanol
CID 13154061
4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one
CID 123351635
5-iodo-3-methoxy-1-methylpyridin-2-one
CID 135227786
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione
CID 8990437
CID 159079953
CID 159079953

Frequently Asked Questions

What is the IUPAC name of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one?
The IUPAC name of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one (CID 159639107) is 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one is CCCCc1cnc(CS(O)(O)CC)nc1-c1cc(OC)c(=O)n(C)c1.
What is the InChIKey of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one?
The InChIKey is MQCUBWIPSFXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-5-7-8-13-10-19-16(12-26(23,24)6-2)20-17(13)14-9-15(25-4)18(22)21(3)11-14/h9-11,23-24H,5-8,12H2,1-4H3.
What are the key properties of 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one?
5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one has a molecular weight of 381.50 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 159639107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).