4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

C15H25N3O2S — CID 155920375

IUPAC4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCCCC(C)c1c(O)nc(SCCN2CCCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O2S/c1-3-6-11(2)12-13(19)16-15(17-14(12)20)21-10-9-18-7-4-5-8-18/h11H,3-10H2,1-2H3,(H2,16,17,19,20)
InChIKeyKBDZRWMNYPCONF-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.57
Rot. Bonds7

About 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 155920375) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID155920375
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCCCC(C)c1c(O)nc(SCCN2CCCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O2S/c1-3-6-11(2)12-13(19)16-15(17-14(12)20)21-10-9-18-7-4-5-8-18/h11H,3-10H2,1-2H3,(H2,16,17,19,20)
InChIKeyKBDZRWMNYPCONF-UHFFFAOYSA-N
XLogP2.57
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-hydroxy-5-(3-methylbutyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one
CID 1073942
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
2-(2-Dimethylamino-ethylsulfanyl)-6-hydroxy-5-pentyl-3H-pyrimidin-4-one
CID 16682223
Isothiobarbamin
CID 132771
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-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-butan-2-yl-4-hydroxy-1H-pyrimidin-6-one
CID 3450066
2-{[2-(Diethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol
CID 132772
2-(2-Dipropylamino-ethylsulfanyl)-6-hydroxy-5-isopropyl-3H-pyrimidin-4-one
CID 2879165

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 155920375) is 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one is CCCC(C)c1c(O)nc(SCCN2CCCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is KBDZRWMNYPCONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-6-11(2)12-13(19)16-15(17-14(12)20)21-10-9-18-7-4-5-8-18/h11H,3-10H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 311.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 155920375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).