6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one

C18H21N3O3S — CID 135541177

IUPAC6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
SMILESCc1ccc(-n2c(SCC(=O)N3CCCCC3)nc(O)cc2=O)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-5-7-14(8-6-13)21-16(23)11-15(22)19-18(21)25-12-17(24)20-9-3-2-4-10-20/h5-8,11,22H,2-4,9-10,12H2,1H3
InChIKeyNNFAWCTURJOEQX-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.35
Rot. Bonds4

About 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one

6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one (PubChem CID 135541177) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
PubChem CID135541177
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
SMILESCc1ccc(-n2c(SCC(=O)N3CCCCC3)nc(O)cc2=O)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-5-7-14(8-6-13)21-16(23)11-15(22)19-18(21)25-12-17(24)20-9-3-2-4-10-20/h5-8,11,22H,2-4,9-10,12H2,1H3
InChIKeyNNFAWCTURJOEQX-UHFFFAOYSA-N
XLogP2.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135427541
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-hydroxy-3-(2-methylpropyl)pyrimidin-4-one
CID 135549166
1-(azepan-1-yl)-2-[[5-(2-fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2595778
2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 2995154
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 40656149
1-(azocan-1-yl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 51145499
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
1-(azepan-1-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 9262099
6-bromo-3-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 6456841
2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 55541373
2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 23971314
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 46817430

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one (CID 135541177) is 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one is Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc(O)cc2=O)cc1.
What is the InChIKey of 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The InChIKey is NNFAWCTURJOEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-5-7-14(8-6-13)21-16(23)11-15(22)19-18(21)25-12-17(24)20-9-3-2-4-10-20/h5-8,11,22H,2-4,9-10,12H2,1H3.
What are the key properties of 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135541177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).