5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

C14H21N3O4S — CID 656316

IUPAC5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O4S/c1-2-3-4-10-12(19)15-14(16-13(10)20)22-9-11(18)17-5-7-21-8-6-17/h2-9H2,1H3,(H2,15,16,19,20)
InChIKeyFZDLORVEFPIZEY-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.77
Rot. Bonds6

About 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 656316) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID656316
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O4S/c1-2-3-4-10-12(19)15-14(16-13(10)20)22-9-11(18)17-5-7-21-8-6-17/h2-9H2,1H3,(H2,15,16,19,20)
InChIKeyFZDLORVEFPIZEY-UHFFFAOYSA-N
XLogP0.77
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 656316) is 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is CCCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O.
What is the InChIKey of 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is FZDLORVEFPIZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-2-3-4-10-12(19)15-14(16-13(10)20)22-9-11(18)17-5-7-21-8-6-17/h2-9H2,1H3,(H2,15,16,19,20).
What are the key properties of 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 327.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 656316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).