2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C11H15ClF3N3O — CID 106767340

IUPAC2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3O/c1-2-3-4-18(5-6-19)9-7-8(12)16-10(17-9)11(13,14)15/h7,19H,2-6H2,1H3
InChIKeyCHUSHPSKKZYCAA-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.75
Rot. Bonds6

About 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 106767340) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID106767340
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3O/c1-2-3-4-18(5-6-19)9-7-8(12)16-10(17-9)11(13,14)15/h7,19H,2-6H2,1H3
InChIKeyCHUSHPSKKZYCAA-UHFFFAOYSA-N
XLogP2.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 106767340) is 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is CCCCN(CCO)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is CHUSHPSKKZYCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-2-3-4-18(5-6-19)9-7-8(12)16-10(17-9)11(13,14)15/h7,19H,2-6H2,1H3.
What are the key properties of 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 297.71 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 106767340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).