2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid

C20H18N2O4 — CID 1491830

IUPAC2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C20H18N2O4/c1-13-19(15-6-4-3-5-7-15)20(25)21-14(2)22(13)16-8-10-17(11-9-16)26-12-18(23)24/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyYFEOKXMJSYSTNP-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.98
Rot. Bonds5

About 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid

2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid (PubChem CID 1491830) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid
PubChem CID1491830
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C20H18N2O4/c1-13-19(15-6-4-3-5-7-15)20(25)21-14(2)22(13)16-8-10-17(11-9-16)26-12-18(23)24/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyYFEOKXMJSYSTNP-UHFFFAOYSA-N
XLogP2.98
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid (CID 1491830) is 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid is Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid?
The InChIKey is YFEOKXMJSYSTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-19(15-6-4-3-5-7-15)20(25)21-14(2)22(13)16-8-10-17(11-9-16)26-12-18(23)24/h3-11H,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid?
2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 1491830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).