1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol

C12H18F3N3O2 — CID 106250988

IUPAC1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H18F3N3O2/c1-11(19,3-4-20-2)7-18-9-5-10(12(13,14)15)17-6-8(9)16/h5-6,19H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyDZESJDIOBFSNCE-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.88
Rot. Bonds6

About 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol

1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106250988) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106250988
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H18F3N3O2/c1-11(19,3-4-20-2)7-18-9-5-10(12(13,14)15)17-6-8(9)16/h5-6,19H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyDZESJDIOBFSNCE-UHFFFAOYSA-N
XLogP1.88
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol (CID 106250988) is 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is DZESJDIOBFSNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-11(19,3-4-20-2)7-18-9-5-10(12(13,14)15)17-6-8(9)16/h5-6,19H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol?
1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106250988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).