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

C16H23N3O4S — CID 1073963

IUPAC5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C16H23N3O4S/c20-12(19-6-8-23-9-7-19)10-24-16-17-14(21)13(15(22)18-16)11-4-2-1-3-5-11/h11H,1-10H2,(H2,17,18,21,22)
InChIKeyQEKZTUQOYBEFBG-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.47
Rot. Bonds4

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

5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 1073963) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID1073963
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C16H23N3O4S/c20-12(19-6-8-23-9-7-19)10-24-16-17-14(21)13(15(22)18-16)11-4-2-1-3-5-11/h11H,1-10H2,(H2,17,18,21,22)
InChIKeyQEKZTUQOYBEFBG-UHFFFAOYSA-N
XLogP1.47
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 1073963) is 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is QEKZTUQOYBEFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-12(19-6-8-23-9-7-19)10-24-16-17-14(21)13(15(22)18-16)11-4-2-1-3-5-11/h11H,1-10H2,(H2,17,18,21,22).
What are the key properties of 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 353.44 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 1073963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).