4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid

C18H14N2O4 — CID 1489965

IUPAC4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)O)cc1
InChIInChI=1S/C18H14N2O4/c1-23-13-7-9-14(10-8-13)24-17-15(18(21)22)11-19-16(20-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
InChIKeyCXLNHDUDRXQRGT-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.64
Rot. Bonds5

About 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid

4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 1489965) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid
PubChem CID1489965
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)O)cc1
InChIInChI=1S/C18H14N2O4/c1-23-13-7-9-14(10-8-13)24-17-15(18(21)22)11-19-16(20-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
InChIKeyCXLNHDUDRXQRGT-UHFFFAOYSA-N
XLogP3.64
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid (CID 1489965) is 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid is COc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)O)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is CXLNHDUDRXQRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-23-13-7-9-14(10-8-13)24-17-15(18(21)22)11-19-16(20-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22).
What are the key properties of 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid?
4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 1489965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).