3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid

C14H20N2O3 — CID 82666903

IUPAC3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid
SMILESCOc1nc(C2CCC2)nc(C)c1C(C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-8(7-11(17)18)12-9(2)15-13(10-5-4-6-10)16-14(12)19-3/h8,10H,4-7H2,1-3H3,(H,17,18)
InChIKeyMRXSGFULSXFGNJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.64
Rot. Bonds5

About 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid

3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid (PubChem CID 82666903) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid
PubChem CID82666903
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid
SMILESCOc1nc(C2CCC2)nc(C)c1C(C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-8(7-11(17)18)12-9(2)15-13(10-5-4-6-10)16-14(12)19-3/h8,10H,4-7H2,1-3H3,(H,17,18)
InChIKeyMRXSGFULSXFGNJ-UHFFFAOYSA-N
XLogP2.64
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid?
The IUPAC name of 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid (CID 82666903) is 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid.
What is the SMILES notation for 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid?
The canonical SMILES for 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid is COc1nc(C2CCC2)nc(C)c1C(C)CC(=O)O.
What is the InChIKey of 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid?
The InChIKey is MRXSGFULSXFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8(7-11(17)18)12-9(2)15-13(10-5-4-6-10)16-14(12)19-3/h8,10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid?
3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyl-4-methoxy-6-methylpyrimidin-5-yl)butanoic acid is sourced from PubChem (CID 82666903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).