2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid

C11H16N2O2 — CID 83852195

IUPAC2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C11H16N2O2/c1-7-12-8(6-10(14)15)5-9(13-7)11(2,3)4/h5H,6H2,1-4H3,(H,14,15)
InChIKeyDEGGSHSHXHNDTP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.71
Rot. Bonds2

About 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid

2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid (PubChem CID 83852195) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
PubChem CID83852195
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C11H16N2O2/c1-7-12-8(6-10(14)15)5-9(13-7)11(2,3)4/h5H,6H2,1-4H3,(H,14,15)
InChIKeyDEGGSHSHXHNDTP-UHFFFAOYSA-N
XLogP1.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid
CID 83852916
2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid
CID 83852529
2-(6-ethynyl-2-methylpyrimidin-4-yl)acetic acid
CID 174602703
4,6-ditert-butyl-2-methylpyrimidine;ethane
CID 144567554
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid
CID 83831200
CID 131847838
CID 131847838
2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
CID 94077073
2-(2-tert-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271556
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
2-[6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837450

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid (CID 83852195) is 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid is Cc1nc(CC(=O)O)cc(C(C)(C)C)n1.
What is the InChIKey of 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid?
The InChIKey is DEGGSHSHXHNDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-12-8(6-10(14)15)5-9(13-7)11(2,3)4/h5H,6H2,1-4H3,(H,14,15).
What are the key properties of 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid?
2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).