3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid

C10H14N2O4 — CID 105483713

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
SMILESCOc1cc(OC)nc(CC(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O4/c1-6(10(13)14)4-7-11-8(15-2)5-9(12-7)16-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyFFCNUFIDGVYUKO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.76
Rot. Bonds5

About 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid

3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid (PubChem CID 105483713) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
PubChem CID105483713
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
SMILESCOc1cc(OC)nc(CC(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O4/c1-6(10(13)14)4-7-11-8(15-2)5-9(12-7)16-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyFFCNUFIDGVYUKO-UHFFFAOYSA-N
XLogP0.76
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoic acid
CID 820742
2-(4,6-dimethoxypyrimidin-2-yl)-4-methylpentanoic acid
CID 113428058
3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid
CID 83831149
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
2-methyl-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 116900020
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-phenylpropanoic acid
CID 122049525
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 122049707
1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one
CID 115355584
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
3-(4,6-dimethoxypyrimidin-2-yl)sulfanylbutan-2-one
CID 56980718
2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
CID 116894252
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-methylpropanoic acid
CID 105494292

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid (CID 105483713) is 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid is COc1cc(OC)nc(CC(C)C(=O)O)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid?
The InChIKey is FFCNUFIDGVYUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(10(13)14)4-7-11-8(15-2)5-9(12-7)16-3/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid?
3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105483713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).