2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C12H21N3O2S — CID 741860

IUPAC2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(SCCN(CC)CC)[nH]c1=O
InChIInChI=1S/C12H21N3O2S/c1-4-9-10(16)13-12(14-11(9)17)18-8-7-15(5-2)6-3/h4-8H2,1-3H3,(H2,13,14,16,17)
InChIKeyZLHRSEYKNBSWBC-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 741860) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID741860
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(SCCN(CC)CC)[nH]c1=O
InChIInChI=1S/C12H21N3O2S/c1-4-9-10(16)13-12(14-11(9)17)18-8-7-15(5-2)6-3/h4-8H2,1-3H3,(H2,13,14,16,17)
InChIKeyZLHRSEYKNBSWBC-UHFFFAOYSA-N
XLogP1.47
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 741860) is 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(SCCN(CC)CC)[nH]c1=O.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZLHRSEYKNBSWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-9-10(16)13-12(14-11(9)17)18-8-7-15(5-2)6-3/h4-8H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 271.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 741860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).