2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C13H14N2O2 — CID 63611424

IUPAC2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H14N2O2/c1-3-9-4-6-10(7-5-9)11-14-12(16)8(2)13(17)15-11/h4-7H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyNEFKNPRMJFEELR-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.01
Rot. Bonds2

About 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63611424) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63611424
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H14N2O2/c1-3-9-4-6-10(7-5-9)11-14-12(16)8(2)13(17)15-11/h4-7H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyNEFKNPRMJFEELR-UHFFFAOYSA-N
XLogP2.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63611424) is 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NEFKNPRMJFEELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-9-4-6-10(7-5-9)11-14-12(16)8(2)13(17)15-11/h4-7H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).