5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one

C10H14N2O3S — CID 79965530

IUPAC5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CSCCO2)[nH]c1=O
InChIInChI=1S/C10H14N2O3S/c1-2-6-9(13)11-8(12-10(6)14)7-5-16-4-3-15-7/h7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyBBVYVQSSLHZTDF-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.84
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one (PubChem CID 79965530) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one
PubChem CID79965530
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CSCCO2)[nH]c1=O
InChIInChI=1S/C10H14N2O3S/c1-2-6-9(13)11-8(12-10(6)14)7-5-16-4-3-15-7/h7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyBBVYVQSSLHZTDF-UHFFFAOYSA-N
XLogP0.84
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one (CID 79965530) is 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(C2CSCCO2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one?
The InChIKey is BBVYVQSSLHZTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-6-9(13)11-8(12-10(6)14)7-5-16-4-3-15-7/h7H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one has a molecular weight of 242.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79965530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).