2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid

C10H14N2O2 — CID 130545057

IUPAC2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid
SMILESCCC(C)(C(=O)O)c1nccc(C)n1
InChIInChI=1S/C10H14N2O2/c1-4-10(3,9(13)14)8-11-6-5-7(2)12-8/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyVFGYFCRIFDDNSS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.54
Rot. Bonds3

About 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid

2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid (PubChem CID 130545057) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid
PubChem CID130545057
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid
SMILESCCC(C)(C(=O)O)c1nccc(C)n1
InChIInChI=1S/C10H14N2O2/c1-4-10(3,9(13)14)8-11-6-5-7(2)12-8/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyVFGYFCRIFDDNSS-UHFFFAOYSA-N
XLogP1.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(4-methylpyrimidin-2-yl)sulfanylbutanoic acid
CID 115000344
2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
CID 83830381
2-(2-fluoropropan-2-yl)-4-methylpyrimidine
CID 138553623
2-(4-methylpyrimidin-2-yl)pentan-2-ylphosphane
CID 118344065
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 148752104
2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 79798017
2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid
CID 83828501
2-amino-2-ethyl-5-(4-methylpyrimidin-2-yl)sulfanylpentanoic acid
CID 106807473
2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid
CID 83831191
2,2-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylhexanoic acid
CID 106714473
4-(4-methylpyrimidin-2-yl)benzoic acid
CID 105467466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid (CID 130545057) is 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid is CCC(C)(C(=O)O)c1nccc(C)n1.
What is the InChIKey of 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid?
The InChIKey is VFGYFCRIFDDNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-10(3,9(13)14)8-11-6-5-7(2)12-8/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid?
2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid is sourced from PubChem (CID 130545057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).