2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C11H19N3O2S — CID 654274

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(SCCN(C)C)[nH]c1=O
InChIInChI=1S/C11H19N3O2S/c1-7(2)8-9(15)12-11(13-10(8)16)17-6-5-14(3)4/h7H,5-6H2,1-4H3,(H2,12,13,15,16)
InChIKeyJLWOZTUMLCZCDP-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.25
Rot. Bonds5

About 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 654274) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID654274
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(SCCN(C)C)[nH]c1=O
InChIInChI=1S/C11H19N3O2S/c1-7(2)8-9(15)12-11(13-10(8)16)17-6-5-14(3)4/h7H,5-6H2,1-4H3,(H2,12,13,15,16)
InChIKeyJLWOZTUMLCZCDP-UHFFFAOYSA-N
XLogP1.25
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 654274) is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(SCCN(C)C)[nH]c1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JLWOZTUMLCZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7(2)8-9(15)12-11(13-10(8)16)17-6-5-14(3)4/h7H,5-6H2,1-4H3,(H2,12,13,15,16).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 257.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 654274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).