2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one

C18H24N2O3 — CID 18722827

IUPAC2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one
SMILESCCc1nc(C)cc(=O)n1CCOc1ccc(CC(C)O)cc1
InChIInChI=1S/C18H24N2O3/c1-4-17-19-13(2)11-18(22)20(17)9-10-23-16-7-5-15(6-8-16)12-14(3)21/h5-8,11,14,21H,4,9-10,12H2,1-3H3
InChIKeyQNWMIDHKPXHROQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.12
Rot. Bonds7

About 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one

2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one (PubChem CID 18722827) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one
PubChem CID18722827
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one
SMILESCCc1nc(C)cc(=O)n1CCOc1ccc(CC(C)O)cc1
InChIInChI=1S/C18H24N2O3/c1-4-17-19-13(2)11-18(22)20(17)9-10-23-16-7-5-15(6-8-16)12-14(3)21/h5-8,11,14,21H,4,9-10,12H2,1-3H3
InChIKeyQNWMIDHKPXHROQ-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one (CID 18722827) is 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one is CCc1nc(C)cc(=O)n1CCOc1ccc(CC(C)O)cc1.
What is the InChIKey of 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one?
The InChIKey is QNWMIDHKPXHROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-17-19-13(2)11-18(22)20(17)9-10-23-16-7-5-15(6-8-16)12-14(3)21/h5-8,11,14,21H,4,9-10,12H2,1-3H3.
What are the key properties of 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one?
2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one has a molecular weight of 316.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-[4-(2-hydroxypropyl)phenoxy]ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 18722827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).