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

C15H18N2O2 — CID 136997545

IUPAC2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCCOC(CC)c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-3-13(19-4-2)15-16-12(10-14(18)17-15)11-8-6-5-7-9-11/h5-10,13H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFBEJIDLSJYPXIB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.92
Rot. Bonds5

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

2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136997545) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136997545
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCCOC(CC)c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-3-13(19-4-2)15-16-12(10-14(18)17-15)11-8-6-5-7-9-11/h5-10,13H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFBEJIDLSJYPXIB-UHFFFAOYSA-N
XLogP2.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one (CID 136997545) is 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one is CCOC(CC)c1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is FBEJIDLSJYPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-13(19-4-2)15-16-12(10-14(18)17-15)11-8-6-5-7-9-11/h5-10,13H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).