1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone

C18H18N2O — CID 54243461

IUPAC1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone
SMILESO=C(CC1=NCCCN1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H18N2O/c21-17(13-18-19-11-6-12-20-18)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,19,20)
InChIKeyQRPRKXYHXYKLMW-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone

1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone (PubChem CID 54243461) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone
PubChem CID54243461
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone
SMILESO=C(CC1=NCCCN1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H18N2O/c21-17(13-18-19-11-6-12-20-18)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,19,20)
InChIKeyQRPRKXYHXYKLMW-UHFFFAOYSA-N
XLogP3.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone?
The IUPAC name of 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone (CID 54243461) is 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone is O=C(CC1=NCCCN1)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone?
The InChIKey is QRPRKXYHXYKLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-17(13-18-19-11-6-12-20-18)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,19,20).
What are the key properties of 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone?
1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone has a molecular weight of 278.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone is sourced from PubChem (CID 54243461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).