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

C11H20ClN3O2S — CID 2879603

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)c1c(O)nc(SCCN(C)C)[nH]c1=O.Cl
InChIInChI=1S/C11H19N3O2S.ClH/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);1H
InChIKeyIISDWFRICWLWJB-UHFFFAOYSA-N
MW293.82 g/mol
LogP1.67
Rot. Bonds5

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

2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 2879603) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
PubChem CID2879603
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)c1c(O)nc(SCCN(C)C)[nH]c1=O.Cl
InChIInChI=1S/C11H19N3O2S.ClH/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);1H
InChIKeyIISDWFRICWLWJB-UHFFFAOYSA-N
XLogP1.67
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 51.67
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;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride (CID 2879603) is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride is CC(C)c1c(O)nc(SCCN(C)C)[nH]c1=O.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is IISDWFRICWLWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.ClH/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);1H.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride?
2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 293.82 g/mol, XLogP of 1.67, 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;hydrochloride is sourced from PubChem (CID 2879603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).