4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid

C11H12F3N3O3 — CID 66236173

IUPAC4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid
SMILESCN(c1nccc(C(F)(F)F)n1)C1COCC1C(=O)O
InChIInChI=1S/C11H12F3N3O3/c1-17(7-5-20-4-6(7)9(18)19)10-15-3-2-8(16-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,18,19)
InChIKeyDBDGCWPPHUCLAG-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.03
Rot. Bonds3

About 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid

4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid (PubChem CID 66236173) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid
PubChem CID66236173
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid
SMILESCN(c1nccc(C(F)(F)F)n1)C1COCC1C(=O)O
InChIInChI=1S/C11H12F3N3O3/c1-17(7-5-20-4-6(7)9(18)19)10-15-3-2-8(16-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,18,19)
InChIKeyDBDGCWPPHUCLAG-UHFFFAOYSA-N
XLogP1.03
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid (CID 66236173) is 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid is CN(c1nccc(C(F)(F)F)n1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid?
The InChIKey is DBDGCWPPHUCLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-17(7-5-20-4-6(7)9(18)19)10-15-3-2-8(16-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,18,19).
What are the key properties of 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid?
4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid has a molecular weight of 291.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).