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

C14H12F3N3O2 — CID 91926266

IUPAC2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
SMILESCN(CC(=O)O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O2/c1-20(8-12(21)22)13-18-10(9-5-3-2-4-6-9)7-11(19-13)14(15,16)17/h2-7H,8H2,1H3,(H,21,22)
InChIKeyTUOIDLMPFLZXOQ-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.68
Rot. Bonds4

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

2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid (PubChem CID 91926266) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
PubChem CID91926266
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
SMILESCN(CC(=O)O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O2/c1-20(8-12(21)22)13-18-10(9-5-3-2-4-6-9)7-11(19-13)14(15,16)17/h2-7H,8H2,1H3,(H,21,22)
InChIKeyTUOIDLMPFLZXOQ-UHFFFAOYSA-N
XLogP2.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid (CID 91926266) is 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid is CN(CC(=O)O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
The InChIKey is TUOIDLMPFLZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-20(8-12(21)22)13-18-10(9-5-3-2-4-6-9)7-11(19-13)14(15,16)17/h2-7H,8H2,1H3,(H,21,22).
What are the key properties of 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid?
2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid has a molecular weight of 311.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 91926266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).