(2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol

C15H16F3N3O — CID 95315574

IUPAC(2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol
SMILESC[C@@H](c1ccccc1)[C@H](CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O/c1-10(11-5-3-2-4-6-11)12(9-22)20-14-19-8-7-13(21-14)15(16,17)18/h2-8,10,12,22H,9H2,1H3,(H,19,20,21)/t10-,12-/m0/s1
InChIKeyFGPBCDNXHYLMMT-JQWIXIFHSA-N
MW311.31 g/mol
LogP3.07
Rot. Bonds5

About (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol

(2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol (PubChem CID 95315574) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol
PubChem CID95315574
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name(2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol
SMILESC[C@@H](c1ccccc1)[C@H](CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O/c1-10(11-5-3-2-4-6-11)12(9-22)20-14-19-8-7-13(21-14)15(16,17)18/h2-8,10,12,22H,9H2,1H3,(H,19,20,21)/t10-,12-/m0/s1
InChIKeyFGPBCDNXHYLMMT-JQWIXIFHSA-N
XLogP3.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol 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 (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol (CID 95315574) is (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol is C[C@@H](c1ccccc1)[C@H](CO)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol?
The InChIKey is FGPBCDNXHYLMMT-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-10(11-5-3-2-4-6-11)12(9-22)20-14-19-8-7-13(21-14)15(16,17)18/h2-8,10,12,22H,9H2,1H3,(H,19,20,21)/t10-,12-/m0/s1.
What are the key properties of (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol?
(2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol has a molecular weight of 311.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 95315574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).