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

C10H13ClN2O2 — CID 83852529

IUPAC2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)nc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)7-4-6(5-8(14)15)12-9(11)13-7/h4H,5H2,1-3H3,(H,14,15)
InChIKeyVFXAYCMREWQMOF-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.05
Rot. Bonds2

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

2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid (PubChem CID 83852529) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid
PubChem CID83852529
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)nc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)7-4-6(5-8(14)15)12-9(11)13-7/h4H,5H2,1-3H3,(H,14,15)
InChIKeyVFXAYCMREWQMOF-UHFFFAOYSA-N
XLogP2.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
CID 83852195
2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid
CID 83852916
6-tert-butyl-2-chloropyrimidin-4-amine
CID 58008872
2-(2-tert-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271556
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid
CID 83831200
2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 83852753
(6-tert-butyl-4-chloro-2-pyridinyl)methyl acetate
CID 137354820
2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 83852579
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid (CID 83852529) is 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid is CC(C)(C)c1cc(CC(=O)O)nc(Cl)n1.
What is the InChIKey of 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid?
The InChIKey is VFXAYCMREWQMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,3)7-4-6(5-8(14)15)12-9(11)13-7/h4H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid?
2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid has a molecular weight of 228.68 g/mol, XLogP of 2.05, 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-chloropyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).