2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid

C10H12F3N3O2 — CID 175965517

IUPAC2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid
SMILESCCC(Nc1cc(C(F)(F)F)nc(C)n1)C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-3-6(9(17)18)16-8-4-7(10(11,12)13)14-5(2)15-8/h4,6H,3H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyLWPIHOOXDKGLKC-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.08
Rot. Bonds4

About 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid

2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid (PubChem CID 175965517) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid
PubChem CID175965517
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid
SMILESCCC(Nc1cc(C(F)(F)F)nc(C)n1)C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-3-6(9(17)18)16-8-4-7(10(11,12)13)14-5(2)15-8/h4,6H,3H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyLWPIHOOXDKGLKC-UHFFFAOYSA-N
XLogP2.08
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid?
The IUPAC name of 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid (CID 175965517) is 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid?
The canonical SMILES for 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid is CCC(Nc1cc(C(F)(F)F)nc(C)n1)C(=O)O.
What is the InChIKey of 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid?
The InChIKey is LWPIHOOXDKGLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-3-6(9(17)18)16-8-4-7(10(11,12)13)14-5(2)15-8/h4,6H,3H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid?
2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid has a molecular weight of 263.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid is sourced from PubChem (CID 175965517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).