4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

C12H17N3O3S — CID 3727771

IUPAC4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-18-10-7-9(16)13-12(14-10)19-8-11(17)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyPXQUUKMFPVFSSZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.88
Rot. Bonds4

About 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 3727771) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID3727771
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-18-10-7-9(16)13-12(14-10)19-8-11(17)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyPXQUUKMFPVFSSZ-UHFFFAOYSA-N
XLogP0.88
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135421456
1-(2,6-Dimethyl-piperidin-1-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone
CID 3149634
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135473714
4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135505010
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
N,N-diethyl-2-[(4-hydroxy-6-methoxypyrimidin-2-yl)sulfanyl]acetamide
CID 799973
8-Methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 1870753
2-(6-Amino-4-hydroxypyrimidin-2-ylthio)-1-piperidylethan-1-one
CID 135447409
4-amino-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135457190
Cambridge id 5343596
CID 135421748
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 135464476

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 3727771) is 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(SCC(=O)N2CCCCC2)n1.
What is the InChIKey of 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is PXQUUKMFPVFSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-18-10-7-9(16)13-12(14-10)19-8-11(17)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,13,14,16).
What are the key properties of 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 283.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3727771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).