6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid

C11H16N2O3 — CID 107554981

IUPAC6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(OC(C)C(C)C)n1
InChIInChI=1S/C11H16N2O3/c1-6(2)8(4)16-11-12-7(3)5-9(13-11)10(14)15/h5-6,8H,1-4H3,(H,14,15)
InChIKeyOPIPJSWLHFKOQD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.91
Rot. Bonds4

About 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid

6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid (PubChem CID 107554981) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid
PubChem CID107554981
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(OC(C)C(C)C)n1
InChIInChI=1S/C11H16N2O3/c1-6(2)8(4)16-11-12-7(3)5-9(13-11)10(14)15/h5-6,8H,1-4H3,(H,14,15)
InChIKeyOPIPJSWLHFKOQD-UHFFFAOYSA-N
XLogP1.91
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid (CID 107554981) is 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(OC(C)C(C)C)n1.
What is the InChIKey of 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid?
The InChIKey is OPIPJSWLHFKOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)8(4)16-11-12-7(3)5-9(13-11)10(14)15/h5-6,8H,1-4H3,(H,14,15).
What are the key properties of 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid?
6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).