2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

C15H18N2O3 — CID 116705733

IUPAC2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESCCOC(CC)c1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-3-11(20-4-2)13-16-14(18)12(15(19)17-13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyAJGJSIDZQXJDSR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.63
Rot. Bonds5

About 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (PubChem CID 116705733) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
PubChem CID116705733
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESCCOC(CC)c1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-3-11(20-4-2)13-16-14(18)12(15(19)17-13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyAJGJSIDZQXJDSR-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136997545
2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79437123
2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439915
5-(4-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705970
5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705991
2-[ethoxy(phenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116745142
2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705682
4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
CID 116706347
5-(2-bromophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116706012
5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
CID 79438766
4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one
CID 65431560
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one
CID 102927167

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (CID 116705733) is 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is CCOC(CC)c1nc(O)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is AJGJSIDZQXJDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-11(20-4-2)13-16-14(18)12(15(19)17-13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).