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

C12H16F3N3O2 — CID 106747935

IUPAC4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol
SMILESNc1cnc(C(F)(F)F)cc1NCC1(O)CCOCC1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)10-5-9(8(16)6-17-10)18-7-11(19)1-3-20-4-2-11/h5-6,19H,1-4,7,16H2,(H,17,18)
InChIKeyGXUCLBGNCQFRDT-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.64
Rot. Bonds3

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

4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol (PubChem CID 106747935) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol
PubChem CID106747935
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol
SMILESNc1cnc(C(F)(F)F)cc1NCC1(O)CCOCC1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)10-5-9(8(16)6-17-10)18-7-11(19)1-3-20-4-2-11/h5-6,19H,1-4,7,16H2,(H,17,18)
InChIKeyGXUCLBGNCQFRDT-UHFFFAOYSA-N
XLogP1.64
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 114107351
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 114562791
4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol
CID 102768812
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 79839410
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
4-[(2-amino-3-fluoroanilino)methyl]oxan-4-ol
CID 81134791
4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
CID 81134784

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol (CID 106747935) is 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol is Nc1cnc(C(F)(F)F)cc1NCC1(O)CCOCC1.
What is the InChIKey of 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol?
The InChIKey is GXUCLBGNCQFRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)10-5-9(8(16)6-17-10)18-7-11(19)1-3-20-4-2-11/h5-6,19H,1-4,7,16H2,(H,17,18).
What are the key properties of 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol?
4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol has a molecular weight of 291.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 106747935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).