2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid

C12H13F3N2O3 — CID 106217032

IUPAC2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(C2(C(F)(F)F)CC2)c(C)c1CC(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-6-8(5-9(18)19)7(2)17(10(20)16-6)11(3-4-11)12(13,14)15/h3-5H2,1-2H3,(H,18,19)
InChIKeySDNZURBEZPYHFD-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.54
Rot. Bonds3

About 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid (PubChem CID 106217032) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid
PubChem CID106217032
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(C2(C(F)(F)F)CC2)c(C)c1CC(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-6-8(5-9(18)19)7(2)17(10(20)16-6)11(3-4-11)12(13,14)15/h3-5H2,1-2H3,(H,18,19)
InChIKeySDNZURBEZPYHFD-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid (CID 106217032) is 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid is Cc1nc(=O)n(C2(C(F)(F)F)CC2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid?
The InChIKey is SDNZURBEZPYHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-6-8(5-9(18)19)7(2)17(10(20)16-6)11(3-4-11)12(13,14)15/h3-5H2,1-2H3,(H,18,19).
What are the key properties of 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid has a molecular weight of 290.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 106217032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).