2-(6-methylpyrimidin-4-yl)oxyacetic acid

C7H8N2O3 — CID 82413452

IUPAC2-(6-methylpyrimidin-4-yl)oxyacetic acid
SMILESCc1cc(OCC(=O)O)ncn1
InChIInChI=1S/C7H8N2O3/c1-5-2-6(9-4-8-5)12-3-7(10)11/h2,4H,3H2,1H3,(H,10,11)
InChIKeyIDIZTAYZEDDLCG-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.25
Rot. Bonds3

About 2-(6-methylpyrimidin-4-yl)oxyacetic acid

2-(6-methylpyrimidin-4-yl)oxyacetic acid (PubChem CID 82413452) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)oxyacetic acid
PubChem CID82413452
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(6-methylpyrimidin-4-yl)oxyacetic acid
SMILESCc1cc(OCC(=O)O)ncn1
InChIInChI=1S/C7H8N2O3/c1-5-2-6(9-4-8-5)12-3-7(10)11/h2,4H,3H2,1H3,(H,10,11)
InChIKeyIDIZTAYZEDDLCG-UHFFFAOYSA-N
XLogP0.25
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
4-Methoxy-6-methylpyrimidine
CID 11959085
2,4-Diethoxy-6-methylpyrimidine
CID 260112
Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester
CID 704438
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate
CID 20602959
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate
CID 20602960
4-Methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 21349937
2-Methyl-2-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoic acid
CID 22270642
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol
CID 59527371
2-[6-(1,1-Difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid
CID 70836178
4-(4-Butoxybutoxy)-6-(trifluoromethyl)pyrimidine
CID 70839585
4-(2,2-Difluoroethoxy)-6-methylpyrimidine
CID 89583661

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)oxyacetic acid (CID 82413452) is 2-(6-methylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)oxyacetic acid is Cc1cc(OCC(=O)O)ncn1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is IDIZTAYZEDDLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5-2-6(9-4-8-5)12-3-7(10)11/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of 2-(6-methylpyrimidin-4-yl)oxyacetic acid?
2-(6-methylpyrimidin-4-yl)oxyacetic acid has a molecular weight of 168.15 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 82413452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).