3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid

C12H16N2O3 — CID 146402103

IUPAC3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid
SMILESCC(C)(COc1ncncc1C1CC1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-12(2,11(15)16)6-17-10-9(8-3-4-8)5-13-7-14-10/h5,7-8H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyYAMXDMXQQIHLTI-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.84
Rot. Bonds5

About 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid

3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid (PubChem CID 146402103) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid
PubChem CID146402103
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid
SMILESCC(C)(COc1ncncc1C1CC1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-12(2,11(15)16)6-17-10-9(8-3-4-8)5-13-7-14-10/h5,7-8H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyYAMXDMXQQIHLTI-UHFFFAOYSA-N
XLogP1.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid (CID 146402103) is 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid is CC(C)(COc1ncncc1C1CC1)C(=O)O.
What is the InChIKey of 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid?
The InChIKey is YAMXDMXQQIHLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,11(15)16)6-17-10-9(8-3-4-8)5-13-7-14-10/h5,7-8H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid?
3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid is sourced from PubChem (CID 146402103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).