3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one

C16H25N3O4S — CID 135641559

IUPAC3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCCCCCCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C16H25N3O4S/c1-2-3-4-5-6-19-14(21)11-13(20)17-16(19)24-12-15(22)18-7-9-23-10-8-18/h11,20H,2-10,12H2,1H3
InChIKeyRSYNCSLSNRIJKA-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.48
Rot. Bonds8

About 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one

3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (PubChem CID 135641559) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
PubChem CID135641559
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCCCCCCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C16H25N3O4S/c1-2-3-4-5-6-19-14(21)11-13(20)17-16(19)24-12-15(22)18-7-9-23-10-8-18/h11,20H,2-10,12H2,1H3
InChIKeyRSYNCSLSNRIJKA-UHFFFAOYSA-N
XLogP1.48
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (CID 135641559) is 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is CCCCCCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O.
What is the InChIKey of 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The InChIKey is RSYNCSLSNRIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-2-3-4-5-6-19-14(21)11-13(20)17-16(19)24-12-15(22)18-7-9-23-10-8-18/h11,20H,2-10,12H2,1H3.
What are the key properties of 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one has a molecular weight of 355.46 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135641559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).