2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid

C14H22N2O3 — CID 70414050

IUPAC2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid
SMILESCC(C)(C)c1ncc(C(C(=O)O)C(C)(C)CO)cn1
InChIInChI=1S/C14H22N2O3/c1-13(2,3)12-15-6-9(7-16-12)10(11(18)19)14(4,5)8-17/h6-7,10,17H,8H2,1-5H3,(H,18,19)
InChIKeyNNXLOYWWDALSKI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.96
Rot. Bonds4

About 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid

2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid (PubChem CID 70414050) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid
PubChem CID70414050
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid
SMILESCC(C)(C)c1ncc(C(C(=O)O)C(C)(C)CO)cn1
InChIInChI=1S/C14H22N2O3/c1-13(2,3)12-15-6-9(7-16-12)10(11(18)19)14(4,5)8-17/h6-7,10,17H,8H2,1-5H3,(H,18,19)
InChIKeyNNXLOYWWDALSKI-UHFFFAOYSA-N
XLogP1.96
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid (CID 70414050) is 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid is CC(C)(C)c1ncc(C(C(=O)O)C(C)(C)CO)cn1.
What is the InChIKey of 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid?
The InChIKey is NNXLOYWWDALSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-13(2,3)12-15-6-9(7-16-12)10(11(18)19)14(4,5)8-17/h6-7,10,17H,8H2,1-5H3,(H,18,19).
What are the key properties of 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid?
2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid is sourced from PubChem (CID 70414050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).