4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol

C11H16F3N3O — CID 106748001

IUPAC4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
SMILESCC(O)CC(C)Nc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3O/c1-6(3-7(2)18)17-9-4-10(11(12,13)14)16-5-8(9)15/h4-7,18H,3,15H2,1-2H3,(H,16,17)
InChIKeyPZCTWVJEKKFYBH-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.25
Rot. Bonds4

About 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol

4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol (PubChem CID 106748001) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
PubChem CID106748001
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
SMILESCC(O)CC(C)Nc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3O/c1-6(3-7(2)18)17-9-4-10(11(12,13)14)16-5-8(9)15/h4-7,18H,3,15H2,1-2H3,(H,16,17)
InChIKeyPZCTWVJEKKFYBH-UHFFFAOYSA-N
XLogP2.25
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747145
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
CID 106748077
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747467
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748056
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747673
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 114567567
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propan-1-ol
CID 106748977

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol (CID 106748001) is 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol is CC(O)CC(C)Nc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol?
The InChIKey is PZCTWVJEKKFYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-6(3-7(2)18)17-9-4-10(11(12,13)14)16-5-8(9)15/h4-7,18H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol?
4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol has a molecular weight of 263.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 106748001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).