2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C12H17F3N4O — CID 102875645

IUPAC2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCNc1nc(N(CCO)C2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-11-17-9(12(13,14)15)7-10(18-11)19(5-6-20)8-3-2-4-8/h7-8,20H,2-6H2,1H3,(H,16,17,18)
InChIKeyKSNLFNLBARJTDS-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.89
Rot. Bonds5

About 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 102875645) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID102875645
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCNc1nc(N(CCO)C2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-11-17-9(12(13,14)15)7-10(18-11)19(5-6-20)8-3-2-4-8/h7-8,20H,2-6H2,1H3,(H,16,17,18)
InChIKeyKSNLFNLBARJTDS-UHFFFAOYSA-N
XLogP1.89
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779
2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114565799
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875611
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102875854
2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol
CID 102869293
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 102718042
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 102875645) is 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is CNc1nc(N(CCO)C2CCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is KSNLFNLBARJTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-16-11-17-9(12(13,14)15)7-10(18-11)19(5-6-20)8-3-2-4-8/h7-8,20H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 290.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 102875645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).