2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid

C14H14N2O3 — CID 137013046

IUPAC2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCc1nc(-c2ccccc2O)nc(C)c1CC(=O)O
InChIInChI=1S/C14H14N2O3/c1-8-11(7-13(18)19)9(2)16-14(15-8)10-5-3-4-6-12(10)17/h3-6,17H,7H2,1-2H3,(H,18,19)
InChIKeyJXDAJUYJAPXNCV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.09
Rot. Bonds3

About 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid

2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid (PubChem CID 137013046) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
PubChem CID137013046
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCc1nc(-c2ccccc2O)nc(C)c1CC(=O)O
InChIInChI=1S/C14H14N2O3/c1-8-11(7-13(18)19)9(2)16-14(15-8)10-5-3-4-6-12(10)17/h3-6,17H,7H2,1-2H3,(H,18,19)
InChIKeyJXDAJUYJAPXNCV-UHFFFAOYSA-N
XLogP2.09
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid (CID 137013046) is 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid is Cc1nc(-c2ccccc2O)nc(C)c1CC(=O)O.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The InChIKey is JXDAJUYJAPXNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-11(7-13(18)19)9(2)16-14(15-8)10-5-3-4-6-12(10)17/h3-6,17H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid has a molecular weight of 258.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid is sourced from PubChem (CID 137013046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).