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

C15H23N3O4S — CID 3508354

IUPAC4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C15H23N3O4S/c1-2-3-4-5-11-13(20)16-15(17-14(11)21)23-10-12(19)18-6-8-22-9-7-18/h2-10H2,1H3,(H2,16,17,20,21)
InChIKeyNODNGDCORMHMSE-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.16
Rot. Bonds7

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

4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one (PubChem CID 3508354) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one
PubChem CID3508354
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C15H23N3O4S/c1-2-3-4-5-11-13(20)16-15(17-14(11)21)23-10-12(19)18-6-8-22-9-7-18/h2-10H2,1H3,(H2,16,17,20,21)
InChIKeyNODNGDCORMHMSE-UHFFFAOYSA-N
XLogP1.16
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one (CID 3508354) is 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one is CCCCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one?
The InChIKey is NODNGDCORMHMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-2-3-4-5-11-13(20)16-15(17-14(11)21)23-10-12(19)18-6-8-22-9-7-18/h2-10H2,1H3,(H2,16,17,20,21).
What are the key properties of 4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one has a molecular weight of 341.43 g/mol, XLogP of 1.16, 7 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-yl-2-oxoethyl)sulfanyl-5-pentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3508354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).