3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid

C14H20N2O2 — CID 116894237

IUPAC3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid
SMILESCc1cc(C2CCC2)nc(C(C)(C)CC(=O)O)n1
InChIInChI=1S/C14H20N2O2/c1-9-7-11(10-5-4-6-10)16-13(15-9)14(2,3)8-12(17)18/h7,10H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyMVHPYLQOUMNHGP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.80
Rot. Bonds4

About 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid

3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid (PubChem CID 116894237) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid
PubChem CID116894237
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid
SMILESCc1cc(C2CCC2)nc(C(C)(C)CC(=O)O)n1
InChIInChI=1S/C14H20N2O2/c1-9-7-11(10-5-4-6-10)16-13(15-9)14(2,3)8-12(17)18/h7,10H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyMVHPYLQOUMNHGP-UHFFFAOYSA-N
XLogP2.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid?
The IUPAC name of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid (CID 116894237) is 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid?
The canonical SMILES for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid is Cc1cc(C2CCC2)nc(C(C)(C)CC(=O)O)n1.
What is the InChIKey of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid?
The InChIKey is MVHPYLQOUMNHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-7-11(10-5-4-6-10)16-13(15-9)14(2,3)8-12(17)18/h7,10H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid?
3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid is sourced from PubChem (CID 116894237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).