6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C27H26N2O4 — CID 71615463

IUPAC6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(CCc2ccc(O)cc2)=C(C(=O)CCc2ccc(O)cc2)C(c2ccccc2)N1
InChIInChI=1S/C27H26N2O4/c30-21-12-6-18(7-13-21)10-16-23-25(24(32)17-11-19-8-14-22(31)15-9-19)26(29-27(33)28-23)20-4-2-1-3-5-20/h1-9,12-15,26,30-31H,10-11,16-17H2,(H2,28,29,33)
InChIKeyHINLEBWRXRYJRP-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.54
Rot. Bonds8

About 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 71615463) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID71615463
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(CCc2ccc(O)cc2)=C(C(=O)CCc2ccc(O)cc2)C(c2ccccc2)N1
InChIInChI=1S/C27H26N2O4/c30-21-12-6-18(7-13-21)10-16-23-25(24(32)17-11-19-8-14-22(31)15-9-19)26(29-27(33)28-23)20-4-2-1-3-5-20/h1-9,12-15,26,30-31H,10-11,16-17H2,(H2,28,29,33)
InChIKeyHINLEBWRXRYJRP-UHFFFAOYSA-N
XLogP4.54
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 71615463) is 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(CCc2ccc(O)cc2)=C(C(=O)CCc2ccc(O)cc2)C(c2ccccc2)N1.
What is the InChIKey of 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is HINLEBWRXRYJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c30-21-12-6-18(7-13-21)10-16-23-25(24(32)17-11-19-8-14-22(31)15-9-19)26(29-27(33)28-23)20-4-2-1-3-5-20/h1-9,12-15,26,30-31H,10-11,16-17H2,(H2,28,29,33).
What are the key properties of 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 442.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 71615463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).