1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone

C24H18N2O2 — CID 2058807

IUPAC1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H18N2O2/c1-17(27)18-12-14-21(15-13-18)28-23-16-22(19-8-4-2-5-9-19)25-24(26-23)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyAYCWZOUNTRJHGP-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.81
Rot. Bonds5

About 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone

1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone (PubChem CID 2058807) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone
PubChem CID2058807
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H18N2O2/c1-17(27)18-12-14-21(15-13-18)28-23-16-22(19-8-4-2-5-9-19)25-24(26-23)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyAYCWZOUNTRJHGP-UHFFFAOYSA-N
XLogP5.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(2-chloro-6-methylpyrimidin-4-yloxy)benzoate
CID 1929655
1-(4-Methylphenyl)-2-(2-methylquinazolin-4-yl)oxyethanone
CID 2447889
1-[4-(6-Methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone
CID 697265
4-[(2,6-Diphenyl-4-pyrimidinyl)oxy]benzaldehyde
CID 1082031
1-[4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenyl]ethanone
CID 53317912
4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]benzamide
CID 53318738
1-[3-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenyl]ethanone
CID 53321839
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)oxy)phenyl)acetamide
CID 90111581
1-(4-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-yl]oxy}phenyl)ethanone
CID 657680
Methyl 4-((2-(benzylamino)-6-methylpyrimidin-4-yl)oxy)benzoate
CID 659862
1-(4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)phenyl)ethanone
CID 721063
2-[4-Methyl-6-(4-methylphenoxy)pyrimidin-2-yl]phenol
CID 747888

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone (CID 2058807) is 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone is CC(=O)c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone?
The InChIKey is AYCWZOUNTRJHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-17(27)18-12-14-21(15-13-18)28-23-16-22(19-8-4-2-5-9-19)25-24(26-23)20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone?
1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone has a molecular weight of 366.42 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-diphenylpyrimidin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 2058807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).