4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one

C15H25N3O3S — CID 3130396

IUPAC4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1c(O)nc(SCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O3S/c1-2-3-4-5-12-13(19)16-15(17-14(12)20)22-11-8-18-6-9-21-10-7-18/h2-11H2,1H3,(H2,16,17,19,20)
InChIKeyJSQLAPKQBSSMRP-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.63
Rot. Bonds8

About 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one

4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one (PubChem CID 3130396) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one
PubChem CID3130396
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1c(O)nc(SCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O3S/c1-2-3-4-5-12-13(19)16-15(17-14(12)20)22-11-8-18-6-9-21-10-7-18/h2-11H2,1H3,(H2,16,17,19,20)
InChIKeyJSQLAPKQBSSMRP-UHFFFAOYSA-N
XLogP1.63
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.63
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-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one (CID 3130396) is 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one is CCCCCc1c(O)nc(SCCN2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one?
The InChIKey is JSQLAPKQBSSMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-2-3-4-5-12-13(19)16-15(17-14(12)20)22-11-8-18-6-9-21-10-7-18/h2-11H2,1H3,(H2,16,17,19,20).
What are the key properties of 4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one has a molecular weight of 327.45 g/mol, XLogP of 1.63, 8 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-ylethylsulfanyl)-5-pentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3130396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).