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

C13H17F3N2O2 — CID 137443534

IUPAC2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCC(C)c1nc(C(F)(F)F)nc(C(C)C)c1CC(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-6(2)10-8(5-9(19)20)11(7(3)4)18-12(17-10)13(14,15)16/h6-7H,5H2,1-4H3,(H,19,20)
InChIKeyRNTPPHKRVPQXQS-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.37
Rot. Bonds4

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

2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 137443534) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID137443534
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCC(C)c1nc(C(F)(F)F)nc(C(C)C)c1CC(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-6(2)10-8(5-9(19)20)11(7(3)4)18-12(17-10)13(14,15)16/h6-7H,5H2,1-4H3,(H,19,20)
InChIKeyRNTPPHKRVPQXQS-UHFFFAOYSA-N
XLogP3.37
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid hydrochloride
CID 126796283
2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 53926251
Tert-butyl 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetate
CID 137459063
2-[4,6-Dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 174589890
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
2-[4,6-Diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 79218266
2-[4,6-Dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79964066
3-[4,6-Dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 79964152

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 137443534) is 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid is CC(C)c1nc(C(F)(F)F)nc(C(C)C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is RNTPPHKRVPQXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-6(2)10-8(5-9(19)20)11(7(3)4)18-12(17-10)13(14,15)16/h6-7H,5H2,1-4H3,(H,19,20).
What are the key properties of 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 290.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 137443534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).