2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid

C14H16N2O3 — CID 104790501

IUPAC2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(-c2ccoc2C)nc(C)c1C(C)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-7(14(17)18)12-8(2)15-13(16-9(12)3)11-5-6-19-10(11)4/h5-7H,1-4H3,(H,17,18)
InChIKeyJVXDFNRJJIFICV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.85
Rot. Bonds3

About 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid

2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid (PubChem CID 104790501) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid
PubChem CID104790501
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(-c2ccoc2C)nc(C)c1C(C)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-7(14(17)18)12-8(2)15-13(16-9(12)3)11-5-6-19-10(11)4/h5-7H,1-4H3,(H,17,18)
InChIKeyJVXDFNRJJIFICV-UHFFFAOYSA-N
XLogP2.85
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid (CID 104790501) is 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid is Cc1nc(-c2ccoc2C)nc(C)c1C(C)C(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid?
The InChIKey is JVXDFNRJJIFICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-7(14(17)18)12-8(2)15-13(16-9(12)3)11-5-6-19-10(11)4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid?
2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 104790501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).