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

C11H14F3N3O2 — CID 79258317

IUPAC2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCc1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-2-3-8-4-9(16-7-15-8)17(5-10(18)19)6-11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyDXCKAYPWAMUHBK-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.88
Rot. Bonds6

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

2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258317) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258317
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCc1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-2-3-8-4-9(16-7-15-8)17(5-10(18)19)6-11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyDXCKAYPWAMUHBK-UHFFFAOYSA-N
XLogP1.88
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258317) is 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCCc1cc(N(CC(=O)O)CC(F)(F)F)ncn1.
What is the InChIKey of 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DXCKAYPWAMUHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-2-3-8-4-9(16-7-15-8)17(5-10(18)19)6-11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H,18,19).
What are the key properties of 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 277.25 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).