4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one

C14H21N3O3S — CID 695466

IUPAC4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O3S/c1-2-6-10-12(19)15-14(16-13(10)20)21-9-11(18)17-7-4-3-5-8-17/h2-9H2,1H3,(H2,15,16,19,20)
InChIKeyDHBBRZUKUZWIGB-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.53
Rot. Bonds5

About 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 695466) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one
PubChem CID695466
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O3S/c1-2-6-10-12(19)15-14(16-13(10)20)21-9-11(18)17-7-4-3-5-8-17/h2-9H2,1H3,(H2,15,16,19,20)
InChIKeyDHBBRZUKUZWIGB-UHFFFAOYSA-N
XLogP1.53
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-(2-Azepan-1-yl-2-oxo-ethylsulfanyl)-5-butyl-6-hydroxy-3H-pyrimidin-4-one
CID 3149866
5-Butyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-pyrimidin-4-one
CID 656316
5-butyl-6-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 5058947
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-hydroxy-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 4053241
5-sec-butyl-6-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 3450065
6-hydroxy-5-isopropyl-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 5058791
2-(2-Dimethylamino-ethylsulfanyl)-6-hydroxy-5-pentyl-3H-pyrimidin-4-one
CID 16682223
N,N-diethyl-2-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]acetamide
CID 796354
2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-hexylpyrimidine-4,6-diol
CID 1828093
2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one;hydrochloride
CID 16189439
2-(2-Dimethylamino-ethylsulfanyl)-5-heptyl-6-hydroxy-3H-pyrimidin-4-one
CID 16682155
2-(5-Ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135538753

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one (CID 695466) is 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is DHBBRZUKUZWIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-6-10-12(19)15-14(16-13(10)20)21-9-11(18)17-7-4-3-5-8-17/h2-9H2,1H3,(H2,15,16,19,20).
What are the key properties of 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 311.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 695466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).