2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C15H18N2O3 — CID 116745142

IUPAC2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1ccccc1)c1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-3-11-14(18)16-13(17-15(11)19)12(20-4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeySPOVZAWERORPBP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.16
Rot. Bonds5

About 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745142) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745142
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1ccccc1)c1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-3-11-14(18)16-13(17-15(11)19)12(20-4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeySPOVZAWERORPBP-UHFFFAOYSA-N
XLogP2.16
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 116745142) is 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCOC(c1ccccc1)c1nc(O)c(CC)c(=O)[nH]1.
What is the InChIKey of 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is SPOVZAWERORPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-11-14(18)16-13(17-15(11)19)12(20-4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).