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

C12H17N3O3S — CID 135421748

IUPAC6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
SMILESCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
InChIInChI=1S/C12H17N3O3S/c1-14-10(17)7-9(16)13-12(14)19-8-11(18)15-5-3-2-4-6-15/h7,16H,2-6,8H2,1H3
InChIKeyDMHCSWJELPKGMU-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.59
Rot. Bonds3

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

6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one (PubChem CID 135421748) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
PubChem CID135421748
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
SMILESCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
InChIInChI=1S/C12H17N3O3S/c1-14-10(17)7-9(16)13-12(14)19-8-11(18)15-5-3-2-4-6-15/h7,16H,2-6,8H2,1H3
InChIKeyDMHCSWJELPKGMU-UHFFFAOYSA-N
XLogP0.59
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Ethyl-2-(ethylthio)-6-hydroxypyrimidin-4(3H)-one
CID 135441610
8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135435893
3-allyl-6-hydroxy-2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-4(3H)-pyrimidinone
CID 135412461
N,N-diethyl-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135420395
N,N-diethyl-2-((1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135401674
3-allyl-2-(ethylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135421752
3-allyl-2-(sec-butylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135458827
4-amino-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135490319
1-Ethyl-6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
CID 135512332
2-(butylthio)-1-ethyl-6-hydroxy-4(1H)-pyrimidinone
CID 135420636
2-Butylsulfanyl-6-hydroxy-1-prop-2-enylpyrimidin-4-one
CID 135406754
2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 135413432

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one (CID 135421748) is 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one is Cn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O.
What is the InChIKey of 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The InChIKey is DMHCSWJELPKGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-14-10(17)7-9(16)13-12(14)19-8-11(18)15-5-3-2-4-6-15/h7,16H,2-6,8H2,1H3.
What are the key properties of 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one has a molecular weight of 283.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135421748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).