2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol

C19H18N2O4 — CID 4971528

IUPAC2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2ncncc2-c2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H18N2O4/c1-23-13-5-6-14(16(22)9-13)19-15(10-20-11-21-19)12-4-7-17(24-2)18(8-12)25-3/h4-11,22H,1-3H3
InChIKeyOMVDSRLWPDHMLF-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.54
Rot. Bonds5

About 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol

2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol (PubChem CID 4971528) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
PubChem CID4971528
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2ncncc2-c2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H18N2O4/c1-23-13-5-6-14(16(22)9-13)19-15(10-20-11-21-19)12-4-7-17(24-2)18(8-12)25-3/h4-11,22H,1-3H3
InChIKeyOMVDSRLWPDHMLF-UHFFFAOYSA-N
XLogP3.54
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol (CID 4971528) is 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-c2ncncc2-c2ccc(OC)c(OC)c2)c(O)c1.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is OMVDSRLWPDHMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-13-5-6-14(16(22)9-13)19-15(10-20-11-21-19)12-4-7-17(24-2)18(8-12)25-3/h4-11,22H,1-3H3.
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 338.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol is sourced from PubChem (CID 4971528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).