2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3N3O4 — CID 115354782

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1cc(OC)nc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O4/c1-19-6-3-7(20-2)15-9(14-6)16(4-8(17)18)5-10(11,12)13/h3H,4-5H2,1-2H3,(H,17,18)
InChIKeyZXRBAPPYKRVKHX-UHFFFAOYSA-N
MW295.22 g/mol
LogP0.95
Rot. Bonds6

About 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 115354782) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID115354782
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1cc(OC)nc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O4/c1-19-6-3-7(20-2)15-9(14-6)16(4-8(17)18)5-10(11,12)13/h3H,4-5H2,1-2H3,(H,17,18)
InChIKeyZXRBAPPYKRVKHX-UHFFFAOYSA-N
XLogP0.95
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 115354782) is 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is COc1cc(OC)nc(N(CC(=O)O)CC(F)(F)F)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZXRBAPPYKRVKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c1-19-6-3-7(20-2)15-9(14-6)16(4-8(17)18)5-10(11,12)13/h3H,4-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 295.22 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 115354782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).