4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol

C12H18F3N3O — CID 102719371

IUPAC4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
SMILESCNc1cc(C(F)(F)F)cc(N(C)CCC(C)O)n1
InChIInChI=1S/C12H18F3N3O/c1-8(19)4-5-18(3)11-7-9(12(13,14)15)6-10(16-2)17-11/h6-8,19H,4-5H2,1-3H3,(H,16,17)
InChIKeyQOBCTFIVBJXAKP-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.35
Rot. Bonds5

About 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol

4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol (PubChem CID 102719371) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
PubChem CID102719371
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
SMILESCNc1cc(C(F)(F)F)cc(N(C)CCC(C)O)n1
InChIInChI=1S/C12H18F3N3O/c1-8(19)4-5-18(3)11-7-9(12(13,14)15)6-10(16-2)17-11/h6-8,19H,4-5H2,1-3H3,(H,16,17)
InChIKeyQOBCTFIVBJXAKP-UHFFFAOYSA-N
XLogP2.35
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol (CID 102719371) is 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol is CNc1cc(C(F)(F)F)cc(N(C)CCC(C)O)n1.
What is the InChIKey of 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The InChIKey is QOBCTFIVBJXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-8(19)4-5-18(3)11-7-9(12(13,14)15)6-10(16-2)17-11/h6-8,19H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol has a molecular weight of 277.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol is sourced from PubChem (CID 102719371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).