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

C12H16F3N3O — CID 133496440

IUPAC2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-4-6-16-11(18-10)17-9-3-1-2-8(9)5-7-19/h4,6,8-9,19H,1-3,5,7H2,(H,16,17,18)
InChIKeyLCNZXCRGQVQMEU-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.46
Rot. Bonds4

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

2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol (PubChem CID 133496440) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol
PubChem CID133496440
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-4-6-16-11(18-10)17-9-3-1-2-8(9)5-7-19/h4,6,8-9,19H,1-3,5,7H2,(H,16,17,18)
InChIKeyLCNZXCRGQVQMEU-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol (CID 133496440) is 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol is OCCC1CCCC1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol?
The InChIKey is LCNZXCRGQVQMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-4-6-16-11(18-10)17-9-3-1-2-8(9)5-7-19/h4,6,8-9,19H,1-3,5,7H2,(H,16,17,18).
What are the key properties of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol?
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).