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

C28H28N2O5 — CID 91899776

IUPAC5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc(CCC(=O)C2C(CCc3ccc(O)cc3)=NC(=O)NC2c2ccccc2)ccc1O
InChIInChI=1S/C28H28N2O5/c1-35-25-17-19(10-15-23(25)32)11-16-24(33)26-22(14-9-18-7-12-21(31)13-8-18)29-28(34)30-27(26)20-5-3-2-4-6-20/h2-8,10,12-13,15,17,26-27,31-32H,9,11,14,16H2,1H3,(H,30,34)
InChIKeyLMMIIMCHZOQQFZ-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.76
Rot. Bonds9

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

5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one (PubChem CID 91899776) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one
PubChem CID91899776
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc(CCC(=O)C2C(CCc3ccc(O)cc3)=NC(=O)NC2c2ccccc2)ccc1O
InChIInChI=1S/C28H28N2O5/c1-35-25-17-19(10-15-23(25)32)11-16-24(33)26-22(14-9-18-7-12-21(31)13-8-18)29-28(34)30-27(26)20-5-3-2-4-6-20/h2-8,10,12-13,15,17,26-27,31-32H,9,11,14,16H2,1H3,(H,30,34)
InChIKeyLMMIIMCHZOQQFZ-UHFFFAOYSA-N
XLogP4.76
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one
CID 91899774
4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one
CID 91899775
benzyl 6-(4-chlorophenyl)-4-[2-(3-methoxyphenyl)ethyl]-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91208137
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
CID 45276919
CID 175936648
CID 175936648
(3S,4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-phenylpyrrolidin-2-one
CID 101033464
6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione
CID 24788998
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-phenylbutanoic acid
CID 90970881
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
(Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 91715816

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one (CID 91899776) is 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one is COc1cc(CCC(=O)C2C(CCc3ccc(O)cc3)=NC(=O)NC2c2ccccc2)ccc1O.
What is the InChIKey of 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one?
The InChIKey is LMMIIMCHZOQQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-35-25-17-19(10-15-23(25)32)11-16-24(33)26-22(14-9-18-7-12-21(31)13-8-18)29-28(34)30-27(26)20-5-3-2-4-6-20/h2-8,10,12-13,15,17,26-27,31-32H,9,11,14,16H2,1H3,(H,30,34).
What are the key properties of 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one?
5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one has a molecular weight of 472.54 g/mol, XLogP of 4.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-4-[2-(4-hydroxyphenyl)ethyl]-6-phenyl-5,6-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 91899776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).