2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid

C13H12N2O3 — CID 116820289

IUPAC2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
SMILESCc1ccccc1Oc1cc(CC(=O)O)ncn1
InChIInChI=1S/C13H12N2O3/c1-9-4-2-3-5-11(9)18-12-6-10(7-13(16)17)14-8-15-12/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyDOXIWJCSFSHLRK-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.20
Rot. Bonds4

About 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid

2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid (PubChem CID 116820289) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
PubChem CID116820289
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
SMILESCc1ccccc1Oc1cc(CC(=O)O)ncn1
InChIInChI=1S/C13H12N2O3/c1-9-4-2-3-5-11(9)18-12-6-10(7-13(16)17)14-8-15-12/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyDOXIWJCSFSHLRK-UHFFFAOYSA-N
XLogP2.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301
2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820304
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
CID 116820314
2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline
CID 61240121
1-[2-methyl-4-[6-(2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 83289350
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 61398539
(2S)-2-chloro-1-[(2R)-2-methyl-4-[6-(2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 98754852
2-[2-[(3-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741818
3-(6-ethylpyrimidin-4-yl)oxy-4-iodobenzoic acid
CID 114103670
5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
CID 61396377

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid (CID 116820289) is 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid is Cc1ccccc1Oc1cc(CC(=O)O)ncn1.
What is the InChIKey of 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid?
The InChIKey is DOXIWJCSFSHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-4-2-3-5-11(9)18-12-6-10(7-13(16)17)14-8-15-12/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid?
2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid has a molecular weight of 244.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 116820289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).