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

C28H28N2O5 — CID 71615464

IUPAC6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(C2NC(=O)NC(CCc3ccc(O)cc3)=C2C(=O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C28H28N2O5/c1-35-23-14-8-20(9-15-23)27-26(25(33)17-7-19-4-12-22(32)13-5-19)24(29-28(34)30-27)16-6-18-2-10-21(31)11-3-18/h2-5,8-15,27,31-32H,6-7,16-17H2,1H3,(H2,29,30,34)
InChIKeyQQNCIEKCXFXOIZ-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.55
Rot. Bonds9

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

6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 71615464) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID71615464
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(C2NC(=O)NC(CCc3ccc(O)cc3)=C2C(=O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C28H28N2O5/c1-35-23-14-8-20(9-15-23)27-26(25(33)17-7-19-4-12-22(32)13-5-19)24(29-28(34)30-27)16-6-18-2-10-21(31)11-3-18/h2-5,8-15,27,31-32H,6-7,16-17H2,1H3,(H2,29,30,34)
InChIKeyQQNCIEKCXFXOIZ-UHFFFAOYSA-N
XLogP4.55
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

benzyl 6-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-pyridin-4-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 154072619
methyl (4S)-6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7457559
methyl 6-ethyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10755910
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
methyl 4-(4-chlorophenyl)-2-oxo-6-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 5461451
(4-methoxyphenyl)methyl (4S)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1351109
(3-fluorophenyl)methyl 4-(4-fluorophenyl)-6-[2-(3-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 68849426
4-(3-chloro-4-hydroxyphenyl)-6-ethyl-5-(3-phenylpropanoyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 70901643
(3-aminophenyl)methyl 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 89204368
methyl (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 677732
methyl (4S)-4-(4-methoxyphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7457251
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 71615464) is 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is COc1ccc(C2NC(=O)NC(CCc3ccc(O)cc3)=C2C(=O)CCc2ccc(O)cc2)cc1.
What is the InChIKey of 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is QQNCIEKCXFXOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-35-23-14-8-20(9-15-23)27-26(25(33)17-7-19-4-12-22(32)13-5-19)24(29-28(34)30-27)16-6-18-2-10-21(31)11-3-18/h2-5,8-15,27,31-32H,6-7,16-17H2,1H3,(H2,29,30,34).
What are the key properties of 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 472.54 g/mol, XLogP of 4.55, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxyphenyl)ethyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 71615464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).