2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C7H7ClF3N3O — CID 67876114

IUPAC2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ncnc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c8-4-5(7(9,10)11)13-3-14-6(4)12-1-2-15/h3,15H,1-2H2,(H,12,13,14)
InChIKeyCZVHCNBWQQIIRV-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.55
Rot. Bonds3

About 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 67876114) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID67876114
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ncnc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c8-4-5(7(9,10)11)13-3-14-6(4)12-1-2-15/h3,15H,1-2H2,(H,12,13,14)
InChIKeyCZVHCNBWQQIIRV-UHFFFAOYSA-N
XLogP1.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 67876114) is 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is OCCNc1ncnc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is CZVHCNBWQQIIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c8-4-5(7(9,10)11)13-3-14-6(4)12-1-2-15/h3,15H,1-2H2,(H,12,13,14).
What are the key properties of 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 241.60 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 67876114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).