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

C14H21N3O5S — CID 22331382

IUPAC5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCOCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O5S/c1-2-21-6-3-10-12(19)15-14(16-13(10)20)23-9-11(18)17-4-7-22-8-5-17/h2-9H2,1H3,(H2,15,16,19,20)
InChIKeyZROIYVQGSGFAKL-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.01
Rot. Bonds7

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

5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 22331382) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID22331382
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCOCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O5S/c1-2-21-6-3-10-12(19)15-14(16-13(10)20)23-9-11(18)17-4-7-22-8-5-17/h2-9H2,1H3,(H2,15,16,19,20)
InChIKeyZROIYVQGSGFAKL-UHFFFAOYSA-N
XLogP0.01
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-Butyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-pyrimidin-4-one
CID 656316
6-Hydroxy-5-isopropyl-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-pyrimidin-4-one
CID 1073918
Cambridge id 5373314
CID 3349056
6-hydroxy-5-isopropyl-2-((2-morpholinoethyl)thio)pyrimidin-4(3H)-one hydrochloride
CID 9549439
6-hydroxy-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
CID 705736
6-Hydroxy-5-(methylethyl)-2-(2-morpholin-4-ylethylthio)-3-hydropyrimidin-4-one
CID 706304
6-hydroxy-5-(2-methylpropyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
CID 4053240
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 4072233
4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one chloride
CID 53346907
3-allyl-5-ethyl-6-hydroxy-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4(3H)-pyrimidinone
CID 135431124
5-ethyl-6-hydroxy-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4(3H)-pyrimidinone
CID 705081
5-[(2R)-butan-2-yl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
CID 705102

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 22331382) is 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is CCOCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O.
What is the InChIKey of 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZROIYVQGSGFAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-2-21-6-3-10-12(19)15-14(16-13(10)20)23-9-11(18)17-4-7-22-8-5-17/h2-9H2,1H3,(H2,15,16,19,20).
What are the key properties of 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 343.41 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 22331382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).