2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid

C14H14N2O3 — CID 917407

IUPAC2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid
SMILESCOc1nc(-c2ccccc2)nc(C)c1CC(=O)O
InChIInChI=1S/C14H14N2O3/c1-9-11(8-12(17)18)14(19-2)16-13(15-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyOAWGXIOMHXOIQE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid

2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid (PubChem CID 917407) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid
PubChem CID917407
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid
SMILESCOc1nc(-c2ccccc2)nc(C)c1CC(=O)O
InChIInChI=1S/C14H14N2O3/c1-9-11(8-12(17)18)14(19-2)16-13(15-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyOAWGXIOMHXOIQE-UHFFFAOYSA-N
XLogP2.09
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid (CID 917407) is 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid is COc1nc(-c2ccccc2)nc(C)c1CC(=O)O.
What is the InChIKey of 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid?
The InChIKey is OAWGXIOMHXOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-11(8-12(17)18)14(19-2)16-13(15-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid?
2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid has a molecular weight of 258.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid is sourced from PubChem (CID 917407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).