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

C11H20ClN3O2S — CID 2879325

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride
SMILESCCCc1c(O)nc(SCCN(C)C)[nH]c1=O.Cl
InChIInChI=1S/C11H19N3O2S.ClH/c1-4-5-8-9(15)12-11(13-10(8)16)17-7-6-14(2)3;/h4-7H2,1-3H3,(H2,12,13,15,16);1H
InChIKeyBVGNLQIAWLBHHR-UHFFFAOYSA-N
MW293.82 g/mol
LogP1.50
Rot. Bonds6

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

2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 2879325) 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-propyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID2879325
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride
SMILESCCCc1c(O)nc(SCCN(C)C)[nH]c1=O.Cl
InChIInChI=1S/C11H19N3O2S.ClH/c1-4-5-8-9(15)12-11(13-10(8)16)17-7-6-14(2)3;/h4-7H2,1-3H3,(H2,12,13,15,16);1H
InChIKeyBVGNLQIAWLBHHR-UHFFFAOYSA-N
XLogP1.50
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 51.50
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-propyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride (CID 2879325) is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride is CCCc1c(O)nc(SCCN(C)C)[nH]c1=O.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is BVGNLQIAWLBHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.ClH/c1-4-5-8-9(15)12-11(13-10(8)16)17-7-6-14(2)3;/h4-7H2,1-3H3,(H2,12,13,15,16);1H.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride?
2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 293.82 g/mol, XLogP of 1.50, 6 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-propyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 2879325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).