2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

C9H12F3N3O — CID 56786352

IUPAC2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESCCN(CCO)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-2-15(5-6-16)8-13-4-3-7(14-8)9(10,11)12/h3-4,16H,2,5-6H2,1H3
InChIKeySIVBDGSFNNFJPY-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.31
Rot. Bonds4

About 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (PubChem CID 56786352) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
PubChem CID56786352
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESCCN(CCO)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-2-15(5-6-16)8-13-4-3-7(14-8)9(10,11)12/h3-4,16H,2,5-6H2,1H3
InChIKeySIVBDGSFNNFJPY-UHFFFAOYSA-N
XLogP1.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (CID 56786352) is 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is CCN(CCO)c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is SIVBDGSFNNFJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-15(5-6-16)8-13-4-3-7(14-8)9(10,11)12/h3-4,16H,2,5-6H2,1H3.
What are the key properties of 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 235.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 56786352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).