5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid

C10H12F3N3O2 — CID 62033973

IUPAC5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
SMILESO=C(O)CCCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-4-6-15-9(16-7)14-5-2-1-3-8(17)18/h4,6H,1-3,5H2,(H,17,18)(H,14,15,16)
InChIKeyMMDJDCSAFWBKBS-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.16
Rot. Bonds6

About 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid

5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid (PubChem CID 62033973) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
PubChem CID62033973
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
SMILESO=C(O)CCCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-4-6-15-9(16-7)14-5-2-1-3-8(17)18/h4,6H,1-3,5H2,(H,17,18)(H,14,15,16)
InChIKeyMMDJDCSAFWBKBS-UHFFFAOYSA-N
XLogP2.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The IUPAC name of 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid (CID 62033973) is 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid.
What is the SMILES notation for 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The canonical SMILES for 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid is O=C(O)CCCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The InChIKey is MMDJDCSAFWBKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)7-4-6-15-9(16-7)14-5-2-1-3-8(17)18/h4,6H,1-3,5H2,(H,17,18)(H,14,15,16).
What are the key properties of 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid has a molecular weight of 263.22 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid is sourced from PubChem (CID 62033973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).