2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid

C10H14N2O5 — CID 134110352

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid
SMILESCOc1cc(OC)nc(OC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O5/c1-10(2,8(13)14)17-9-11-6(15-3)5-7(12-9)16-4/h5H,1-4H3,(H,13,14)
InChIKeyPFTLUSCIHWHDGB-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.74
Rot. Bonds5

About 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid

2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid (PubChem CID 134110352) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid
PubChem CID134110352
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid
SMILESCOc1cc(OC)nc(OC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O5/c1-10(2,8(13)14)17-9-11-6(15-3)5-7(12-9)16-4/h5H,1-4H3,(H,13,14)
InChIKeyPFTLUSCIHWHDGB-UHFFFAOYSA-N
XLogP0.74
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate
CID 52934245
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 115354713
2-(4,6-dimethoxypyrimidin-2-yl)oxy-2,3-dimethylbutanoic acid;methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbutanoate
CID 158464839
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
CID 67674533
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865
1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid
CID 134095968
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-ethylbutanoic acid
CID 115354788
2,4,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine
CID 18761956
N-(4,6-dimethoxypyrimidin-2-yl)-2-hydroxy-2-methylpropanamide
CID 107626294
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 107629350

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid (CID 134110352) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid is COc1cc(OC)nc(OC(C)(C)C(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid?
The InChIKey is PFTLUSCIHWHDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-10(2,8(13)14)17-9-11-6(15-3)5-7(12-9)16-4/h5H,1-4H3,(H,13,14).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid is sourced from PubChem (CID 134110352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).