2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid

C9H9F3N2O2 — CID 174589890

IUPAC2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(C(F)(F)F)nc(C)c1CC(=O)O
InChIInChI=1S/C9H9F3N2O2/c1-4-6(3-7(15)16)5(2)14-8(13-4)9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyLDLHSOMJJIOVNQ-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.74
Rot. Bonds2

About 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 174589890) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID174589890
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(C(F)(F)F)nc(C)c1CC(=O)O
InChIInChI=1S/C9H9F3N2O2/c1-4-6(3-7(15)16)5(2)14-8(13-4)9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyLDLHSOMJJIOVNQ-UHFFFAOYSA-N
XLogP1.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,7-Dimethyl-2-(trifluoromethyl)-(1,2,4)triazolo(1,5-a)pyrimidin-6-yl)acetic acid
CID 16227688
2-(2-Ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid hydrochloride
CID 126796283
2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 18983895
Ethyl (4-Chloro-2-methyl-6-trifluoromethylpyrimidin-5-yl)acetate
CID 19876782
2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 53926251
2-[4,6-Di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 137443534
2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate
CID 18983894
2-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 55062883
2-(2-Ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid
CID 61269025
2-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 61392786
3-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 61392787
3-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 65293380

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 174589890) is 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid is Cc1nc(C(F)(F)F)nc(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is LDLHSOMJJIOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-4-6(3-7(15)16)5(2)14-8(13-4)9(10,11)12/h3H2,1-2H3,(H,15,16).
What are the key properties of 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 234.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 174589890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).