3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one

C16H18N4O2 — CID 133499773

IUPAC3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one
SMILESCCN1CN(c2nccc(OCc3ccccc3)n2)CC1=O
InChIInChI=1S/C16H18N4O2/c1-2-19-12-20(10-15(19)21)16-17-9-8-14(18-16)22-11-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3
InChIKeyHLYPVPKTPOLMAP-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.68
Rot. Bonds5

About 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one

3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one (PubChem CID 133499773) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one
PubChem CID133499773
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one
SMILESCCN1CN(c2nccc(OCc3ccccc3)n2)CC1=O
InChIInChI=1S/C16H18N4O2/c1-2-19-12-20(10-15(19)21)16-17-9-8-14(18-16)22-11-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3
InChIKeyHLYPVPKTPOLMAP-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one?
The IUPAC name of 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one (CID 133499773) is 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one is CCN1CN(c2nccc(OCc3ccccc3)n2)CC1=O.
What is the InChIKey of 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one?
The InChIKey is HLYPVPKTPOLMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-19-12-20(10-15(19)21)16-17-9-8-14(18-16)22-11-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3.
What are the key properties of 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one?
3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one has a molecular weight of 298.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one is sourced from PubChem (CID 133499773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).