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

C30H32N2O7 — CID 91899775

IUPAC4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(C2NC(=O)N=C(CCc3ccc(O)c(OC)c3)C2C(=O)CCc2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C30H32N2O7/c1-37-21-10-8-20(9-11-21)29-28(25(35)15-7-19-6-14-24(34)27(17-19)39-3)22(31-30(36)32-29)12-4-18-5-13-23(33)26(16-18)38-2/h5-6,8-11,13-14,16-17,28-29,33-34H,4,7,12,15H2,1-3H3,(H,32,36)
InChIKeyKWMIZNMOBIIUHW-UHFFFAOYSA-N
MW532.59 g/mol
LogP4.78
Rot. Bonds11

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

4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one (PubChem CID 91899775) has the molecular formula C30H32N2O7 and a molecular weight of 532.59 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one
PubChem CID91899775
Molecular FormulaC30H32N2O7
Molecular Weight532.59 g/mol
Exact Mass532.22
IUPAC Name4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(C2NC(=O)N=C(CCc3ccc(O)c(OC)c3)C2C(=O)CCc2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C30H32N2O7/c1-37-21-10-8-20(9-11-21)29-28(25(35)15-7-19-6-14-24(34)27(17-19)39-3)22(31-30(36)32-29)12-4-18-5-13-23(33)26(16-18)38-2/h5-6,8-11,13-14,16-17,28-29,33-34H,4,7,12,15H2,1-3H3,(H,32,36)
InChIKeyKWMIZNMOBIIUHW-UHFFFAOYSA-N
XLogP4.78
TPSA126.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.59
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 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) is 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one is COc1ccc(C2NC(=O)N=C(CCc3ccc(O)c(OC)c3)C2C(=O)CCc2ccc(O)c(OC)c2)cc1.
What is the InChIKey of 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one?
The InChIKey is KWMIZNMOBIIUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O7/c1-37-21-10-8-20(9-11-21)29-28(25(35)15-7-19-6-14-24(34)27(17-19)39-3)22(31-30(36)32-29)12-4-18-5-13-23(33)26(16-18)38-2/h5-6,8-11,13-14,16-17,28-29,33-34H,4,7,12,15H2,1-3H3,(H,32,36).
What are the key properties of 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one?
4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one has a molecular weight of 532.59 g/mol, XLogP of 4.78, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 91899775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).