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

C14H26ClN3O2S — CID 52998173

IUPAC5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride
SMILESCCCCc1c(O)nc(SCCN(CC)CC)[nH]c1=O.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-4-7-8-11-12(18)15-14(16-13(11)19)20-10-9-17(5-2)6-3;/h4-10H2,1-3H3,(H2,15,16,18,19);1H
InChIKeyFUYQIEOOAOWLSK-UHFFFAOYSA-N
MW335.90 g/mol
LogP2.67
Rot. Bonds9

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

5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride (PubChem CID 52998173) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride
PubChem CID52998173
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC Name5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride
SMILESCCCCc1c(O)nc(SCCN(CC)CC)[nH]c1=O.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-4-7-8-11-12(18)15-14(16-13(11)19)20-10-9-17(5-2)6-3;/h4-10H2,1-3H3,(H2,15,16,18,19);1H
InChIKeyFUYQIEOOAOWLSK-UHFFFAOYSA-N
XLogP2.67
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride (CID 52998173) is 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride is CCCCc1c(O)nc(SCCN(CC)CC)[nH]c1=O.Cl.
What is the InChIKey of 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is FUYQIEOOAOWLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S.ClH/c1-4-7-8-11-12(18)15-14(16-13(11)19)20-10-9-17(5-2)6-3;/h4-10H2,1-3H3,(H2,15,16,18,19);1H.
What are the key properties of 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride?
5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 52998173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).