4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid

C11H14F3N3O2 — CID 64584680

IUPAC4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
SMILESCC(C)CC(Nc1nccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C11H14F3N3O2/c1-6(2)5-7(9(18)19)16-10-15-4-3-8(17-10)11(12,13)14/h3-4,6-7H,5H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyFLNMOZKXMZBBQQ-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.41
Rot. Bonds5

About 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid

4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid (PubChem CID 64584680) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
PubChem CID64584680
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
SMILESCC(C)CC(Nc1nccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C11H14F3N3O2/c1-6(2)5-7(9(18)19)16-10-15-4-3-8(17-10)11(12,13)14/h3-4,6-7H,5H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyFLNMOZKXMZBBQQ-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic 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

4-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]pentanoic acid
CID 121426695
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029180
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 103111436
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154
(2S)-2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-4-methylpentanoic acid
CID 122050014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid (CID 64584680) is 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid is CC(C)CC(Nc1nccc(C(F)(F)F)n1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The InChIKey is FLNMOZKXMZBBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6(2)5-7(9(18)19)16-10-15-4-3-8(17-10)11(12,13)14/h3-4,6-7H,5H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid has a molecular weight of 277.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid is sourced from PubChem (CID 64584680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).