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

C13H21N3O3S — CID 706304

IUPAC4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(SCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O3S/c1-9(2)10-11(17)14-13(15-12(10)18)20-8-5-16-3-6-19-7-4-16/h9H,3-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyMZTYKHIUPIZGGO-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.02
Rot. Bonds5

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

4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 706304) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID706304
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(SCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O3S/c1-9(2)10-11(17)14-13(15-12(10)18)20-8-5-16-3-6-19-7-4-16/h9H,3-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyMZTYKHIUPIZGGO-UHFFFAOYSA-N
XLogP1.02
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.02
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-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 706304) is 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(SCCN2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MZTYKHIUPIZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)10-11(17)14-13(15-12(10)18)20-8-5-16-3-6-19-7-4-16/h9H,3-8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 299.40 g/mol, XLogP of 1.02, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 706304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).