2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3N3O3 — CID 79258242

IUPAC2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1ncnc(N(CC(=O)O)CC(F)(F)F)c1C
InChIInChI=1S/C10H12F3N3O3/c1-6-8(14-5-15-9(6)19-2)16(3-7(17)18)4-10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18)
InChIKeyUKNYMZPJDRHRFV-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.25
Rot. Bonds5

About 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258242) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258242
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1ncnc(N(CC(=O)O)CC(F)(F)F)c1C
InChIInChI=1S/C10H12F3N3O3/c1-6-8(14-5-15-9(6)19-2)16(3-7(17)18)4-10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18)
InChIKeyUKNYMZPJDRHRFV-UHFFFAOYSA-N
XLogP1.25
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258242) is 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is COc1ncnc(N(CC(=O)O)CC(F)(F)F)c1C.
What is the InChIKey of 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UKNYMZPJDRHRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-6-8(14-5-15-9(6)19-2)16(3-7(17)18)4-10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 279.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).