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

C11H16N2O3 — CID 63613131

IUPAC5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-2-8-10(14)12-9(13-11(8)15)7-3-5-16-6-4-7/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyDQBRQZWWVPBFIL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.93
Rot. Bonds2

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

5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 63613131) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
PubChem CID63613131
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-2-8-10(14)12-9(13-11(8)15)7-3-5-16-6-4-7/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyDQBRQZWWVPBFIL-UHFFFAOYSA-N
XLogP0.93
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one (CID 63613131) is 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(C2CCOCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is DQBRQZWWVPBFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-8-10(14)12-9(13-11(8)15)7-3-5-16-6-4-7/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63613131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).