4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one

C16H19N3O3S — CID 574865

IUPAC4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(SCCN2CCOCC2)nc(O)c1-c1ccccc1
InChIInChI=1S/C16H19N3O3S/c20-14-13(12-4-2-1-3-5-12)15(21)18-16(17-14)23-11-8-19-6-9-22-10-7-19/h1-5H,6-11H2,(H2,17,18,20,21)
InChIKeyDXWYTMWIDYGKRH-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.57
Rot. Bonds5

About 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one

4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one (PubChem CID 574865) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one
PubChem CID574865
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(SCCN2CCOCC2)nc(O)c1-c1ccccc1
InChIInChI=1S/C16H19N3O3S/c20-14-13(12-4-2-1-3-5-12)15(21)18-16(17-14)23-11-8-19-6-9-22-10-7-19/h1-5H,6-11H2,(H2,17,18,20,21)
InChIKeyDXWYTMWIDYGKRH-UHFFFAOYSA-N
XLogP1.57
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one (CID 574865) is 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one is O=c1[nH]c(SCCN2CCOCC2)nc(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is DXWYTMWIDYGKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-14-13(12-4-2-1-3-5-12)15(21)18-16(17-14)23-11-8-19-6-9-22-10-7-19/h1-5H,6-11H2,(H2,17,18,20,21).
What are the key properties of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 333.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 574865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).