5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one

C23H23N3O4S — CID 135438992

IUPAC5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one
SMILESO=C(CSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H23N3O4S/c27-20(25-11-13-30-14-12-25)16-31-23-24-21(28)19(15-17-7-3-1-4-8-17)22(29)26(23)18-9-5-2-6-10-18/h1-10,28H,11-16H2
InChIKeyMITMCOHTJREVQY-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.48
Rot. Bonds6

About 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one

5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one (PubChem CID 135438992) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one
PubChem CID135438992
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one
SMILESO=C(CSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H23N3O4S/c27-20(25-11-13-30-14-12-25)16-31-23-24-21(28)19(15-17-7-3-1-4-8-17)22(29)26(23)18-9-5-2-6-10-18/h1-10,28H,11-16H2
InChIKeyMITMCOHTJREVQY-UHFFFAOYSA-N
XLogP2.48
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one?
The IUPAC name of 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one (CID 135438992) is 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one is O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1)N1CCOCC1.
What is the InChIKey of 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one?
The InChIKey is MITMCOHTJREVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c27-20(25-11-13-30-14-12-25)16-31-23-24-21(28)19(15-17-7-3-1-4-8-17)22(29)26(23)18-9-5-2-6-10-18/h1-10,28H,11-16H2.
What are the key properties of 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one?
5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one has a molecular weight of 437.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 135438992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).