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

C14H16N2O2 — CID 127044151

IUPAC2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1ccc(CCc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-10-3-5-11(6-4-10)7-8-12-15-13(17)9-14(18)16-12/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyNSARQZQFIUDSFI-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.82
Rot. Bonds4

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

2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 127044151) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID127044151
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1ccc(CCc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-10-3-5-11(6-4-10)7-8-12-15-13(17)9-14(18)16-12/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyNSARQZQFIUDSFI-UHFFFAOYSA-N
XLogP1.82
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 127044151) is 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one is CCc1ccc(CCc2nc(O)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NSARQZQFIUDSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-10-3-5-11(6-4-10)7-8-12-15-13(17)9-14(18)16-12/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 127044151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).