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

C11H19ClN3O2S- — CID 53314643

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride
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/p-1
InChIKeyIISDWFRICWLWJB-UHFFFAOYSA-M
MW292.81 g/mol
LogP-1.74
Rot. Bonds5

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

2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride (PubChem CID 53314643) has the molecular formula C11H19ClN3O2S- and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride
PubChem CID53314643
Molecular FormulaC11H19ClN3O2S-
Molecular Weight292.81 g/mol
Exact Mass292.09
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride
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/p-1
InChIKeyIISDWFRICWLWJB-UHFFFAOYSA-M
XLogP-1.74
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 5-1.74
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 chloride?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride (CID 53314643) is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride 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 chloride?
The InChIKey is IISDWFRICWLWJB-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride?
2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one chloride has a molecular weight of 292.81 g/mol, XLogP of -1.74, 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 chloride is sourced from PubChem (CID 53314643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).