methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate

C19H16N2O4 — CID 135960789

IUPACmethyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccc(OC)cc2)c(-c2ccccc2O)n1
InChIInChI=1S/C19H16N2O4/c1-24-13-9-7-12(8-10-13)15-11-20-18(19(23)25-2)21-17(15)14-5-3-4-6-16(14)22/h3-11,22H,1-2H3
InChIKeyZSFPJXGLUIPPID-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.31
Rot. Bonds4

About methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate

methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate (PubChem CID 135960789) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate
PubChem CID135960789
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namemethyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccc(OC)cc2)c(-c2ccccc2O)n1
InChIInChI=1S/C19H16N2O4/c1-24-13-9-7-12(8-10-13)15-11-20-18(19(23)25-2)21-17(15)14-5-3-4-6-16(14)22/h3-11,22H,1-2H3
InChIKeyZSFPJXGLUIPPID-UHFFFAOYSA-N
XLogP3.31
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate (CID 135960789) is methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate is COC(=O)c1ncc(-c2ccc(OC)cc2)c(-c2ccccc2O)n1.
What is the InChIKey of methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate?
The InChIKey is ZSFPJXGLUIPPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-13-9-7-12(8-10-13)15-11-20-18(19(23)25-2)21-17(15)14-5-3-4-6-16(14)22/h3-11,22H,1-2H3.
What are the key properties of methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate?
methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylate is sourced from PubChem (CID 135960789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).