2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone

C20H18N2O2 — CID 152879161

IUPAC2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone
SMILESO=C(CO)c1cnc(CCc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C20H18N2O2/c23-14-19(24)17-12-21-20(22-13-17)11-10-16-8-4-5-9-18(16)15-6-2-1-3-7-15/h1-9,12-13,23H,10-11,14H2
InChIKeyUBAMVUIPOTZGAH-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.10
Rot. Bonds6

About 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone

2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone (PubChem CID 152879161) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone
PubChem CID152879161
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone
SMILESO=C(CO)c1cnc(CCc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C20H18N2O2/c23-14-19(24)17-12-21-20(22-13-17)11-10-16-8-4-5-9-18(16)15-6-2-1-3-7-15/h1-9,12-13,23H,10-11,14H2
InChIKeyUBAMVUIPOTZGAH-UHFFFAOYSA-N
XLogP3.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone (CID 152879161) is 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone is O=C(CO)c1cnc(CCc2ccccc2-c2ccccc2)nc1.
What is the InChIKey of 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone?
The InChIKey is UBAMVUIPOTZGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-14-19(24)17-12-21-20(22-13-17)11-10-16-8-4-5-9-18(16)15-6-2-1-3-7-15/h1-9,12-13,23H,10-11,14H2.
What are the key properties of 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone?
2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone has a molecular weight of 318.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 152879161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).