4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid

C18H14N2O4 — CID 135960788

IUPAC4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)nc2-c2ccccc2O)cc1
InChIInChI=1S/C18H14N2O4/c1-24-12-8-6-11(7-9-12)14-10-19-17(18(22)23)20-16(14)13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H,22,23)
InChIKeyXTHXIDSDTWAUNS-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.22
Rot. Bonds4

About 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid

4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid (PubChem CID 135960788) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid
PubChem CID135960788
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)nc2-c2ccccc2O)cc1
InChIInChI=1S/C18H14N2O4/c1-24-12-8-6-11(7-9-12)14-10-19-17(18(22)23)20-16(14)13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H,22,23)
InChIKeyXTHXIDSDTWAUNS-UHFFFAOYSA-N
XLogP3.22
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid (CID 135960788) is 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid is COc1ccc(-c2cnc(C(=O)O)nc2-c2ccccc2O)cc1.
What is the InChIKey of 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid?
The InChIKey is XTHXIDSDTWAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-24-12-8-6-11(7-9-12)14-10-19-17(18(22)23)20-16(14)13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H,22,23).
What are the key properties of 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid?
4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135960788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).