ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one

C16H22N2O2 — CID 145305521

IUPACethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCC.CCc1ccc(CCc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H16N2O2.C2H6/c1-2-10-3-5-11(6-4-10)7-8-12-15-13(17)9-14(18)16-12;1-2/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18);1-2H3
InChIKeyVKIUZTMQLGGYKL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.85
Rot. Bonds4

About ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one

ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 145305521) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID145305521
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCC.CCc1ccc(CCc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H16N2O2.C2H6/c1-2-10-3-5-11(6-4-10)7-8-12-15-13(17)9-14(18)16-12;1-2/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18);1-2H3
InChIKeyVKIUZTMQLGGYKL-UHFFFAOYSA-N
XLogP2.85
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 145305521) is ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one is CC.CCc1ccc(CCc2nc(O)cc(=O)[nH]2)cc1.
What is the InChIKey of ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VKIUZTMQLGGYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C2H6/c1-2-10-3-5-11(6-4-10)7-8-12-15-13(17)9-14(18)16-12;1-2/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18);1-2H3.
What are the key properties of ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 274.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 145305521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).