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

C10H11F3N2O2 — CID 84706502

IUPAC2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCC(C)c1ncc(CC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-5(2)9-14-4-6(3-7(16)17)8(15-9)10(11,12)13/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyKZIPBRZGOPXEES-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.25
Rot. Bonds3

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

2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 84706502) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID84706502
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCC(C)c1ncc(CC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-5(2)9-14-4-6(3-7(16)17)8(15-9)10(11,12)13/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyKZIPBRZGOPXEES-UHFFFAOYSA-N
XLogP2.25
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methoxy-4-methylpyrimidin-5-yl)acetic acid
CID 82601254
2-(4-Ethyl-2-methoxypyrimidin-5-yl)acetic acid
CID 82657594
3-Methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 14718748
3,3-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pentanoic acid
CID 20060707
2-(2-Tert-butylpyrimidin-5-yl)-3,3,3-trifluoropropanoic acid
CID 20060711
methyl (2E)-2-[4-(hydroxymethyl)-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium
CID 20642012
(2S)-2-(2-tert-butylpyrimidin-5-yl)-3,3,3-trifluoropropanoic acid
CID 67927985
(2S)-3-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 67928003
4-[4-Methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 68841341
2-[4-(Trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82610181
2-[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82621938
2-[2-(Tetrazol-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 89619356

Frequently Asked Questions

What is the IUPAC name of 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 84706502) is 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid is CC(C)c1ncc(CC(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is KZIPBRZGOPXEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5(2)9-14-4-6(3-7(16)17)8(15-9)10(11,12)13/h4-5H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 248.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 84706502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).