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

C19H14F3N3O2 — CID 139886551

IUPAC2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)14-8-6-13(7-9-14)18-24-15(12-4-2-1-3-5-12)10-16(25-18)23-11-17(26)27/h1-10H,11H2,(H,26,27)(H,23,24,25)
InChIKeyHWBKYJYDDHQPPQ-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.33
Rot. Bonds5

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

2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid (PubChem CID 139886551) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid
PubChem CID139886551
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)14-8-6-13(7-9-14)18-24-15(12-4-2-1-3-5-12)10-16(25-18)23-11-17(26)27/h1-10H,11H2,(H,26,27)(H,23,24,25)
InChIKeyHWBKYJYDDHQPPQ-UHFFFAOYSA-N
XLogP4.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-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

Related Compounds

N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N',N'-dimethyl-N-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 4667934
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone
CID 15871399
2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 121315643
4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 139224365
2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 115915242
4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine-2-carboxylic acid
CID 57468714
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922

Frequently Asked Questions

What is the IUPAC name of 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid (CID 139886551) is 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid is O=C(O)CNc1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid?
The InChIKey is HWBKYJYDDHQPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)14-8-6-13(7-9-14)18-24-15(12-4-2-1-3-5-12)10-16(25-18)23-11-17(26)27/h1-10H,11H2,(H,26,27)(H,23,24,25).
What are the key properties of 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid?
2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid has a molecular weight of 373.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 139886551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).