2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid

C13H20N2O2 — CID 116896338

IUPAC2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1nc(C)cc(CC(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-5-11(13(16)17)12-14-9(4)7-10(15-12)6-8(2)3/h7-8,11H,5-6H2,1-4H3,(H,16,17)
InChIKeyJFIOULQSRIVTIR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid

2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid (PubChem CID 116896338) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
PubChem CID116896338
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1nc(C)cc(CC(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-5-11(13(16)17)12-14-9(4)7-10(15-12)6-8(2)3/h7-8,11H,5-6H2,1-4H3,(H,16,17)
InChIKeyJFIOULQSRIVTIR-UHFFFAOYSA-N
XLogP2.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
CID 116896346
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
CID 57437203
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid
CID 116896352
1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
CID 116895408
N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine
CID 116896489
2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid
CID 104571914
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid
CID 83857275
2-(5-methylpyrazin-2-yl)butanoic acid
CID 82409079
3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid
CID 104573417

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid?
The IUPAC name of 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid (CID 116896338) is 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid.
What is the SMILES notation for 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid?
The canonical SMILES for 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid is CCC(C(=O)O)c1nc(C)cc(CC(C)C)n1.
What is the InChIKey of 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid?
The InChIKey is JFIOULQSRIVTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-11(13(16)17)12-14-9(4)7-10(15-12)6-8(2)3/h7-8,11H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid?
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid is sourced from PubChem (CID 116896338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).