3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol

C25H22N2O4 — CID 162674181

IUPAC3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol
SMILESCOc1cc(-c2cc(-c3cccc(O)c3)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O4/c1-29-22-13-18(14-23(30-2)24(22)31-3)21-15-20(17-10-7-11-19(28)12-17)26-25(27-21)16-8-5-4-6-9-16/h4-15,28H,1-3H3
InChIKeySUKMNDUDGGAUCP-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.21
Rot. Bonds6

About 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol

3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 162674181) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol
PubChem CID162674181
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol
SMILESCOc1cc(-c2cc(-c3cccc(O)c3)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O4/c1-29-22-13-18(14-23(30-2)24(22)31-3)21-15-20(17-10-7-11-19(28)12-17)26-25(27-21)16-8-5-4-6-9-16/h4-15,28H,1-3H3
InChIKeySUKMNDUDGGAUCP-UHFFFAOYSA-N
XLogP5.21
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol (CID 162674181) is 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol is COc1cc(-c2cc(-c3cccc(O)c3)nc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is SUKMNDUDGGAUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-22-13-18(14-23(30-2)24(22)31-3)21-15-20(17-10-7-11-19(28)12-17)26-25(27-21)16-8-5-4-6-9-16/h4-15,28H,1-3H3.
What are the key properties of 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol?
3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 414.46 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 162674181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).