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

C17H19N3O4S — CID 1073970

IUPAC5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C17H19N3O4S/c21-14(20-6-8-24-9-7-20)11-25-17-18-15(22)13(16(23)19-17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,18,19,22,23)
InChIKeyOMVNGNJHJTXMGY-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.02
Rot. Bonds5

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

5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 1073970) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID1073970
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C17H19N3O4S/c21-14(20-6-8-24-9-7-20)11-25-17-18-15(22)13(16(23)19-17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,18,19,22,23)
InChIKeyOMVNGNJHJTXMGY-UHFFFAOYSA-N
XLogP1.02
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 1073970) is 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is OMVNGNJHJTXMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-14(20-6-8-24-9-7-20)11-25-17-18-15(22)13(16(23)19-17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,18,19,22,23).
What are the key properties of 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 361.42 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 5-benzyl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 1073970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).