[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol

C11H13ClF3N3O — CID 106364055

IUPAC[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESOCC1CCCC1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3O/c12-8-4-9(18-10(17-8)11(13,14)15)16-7-3-1-2-6(7)5-19/h4,6-7,19H,1-3,5H2,(H,16,17,18)
InChIKeyCINQQQASHKNNFP-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.72
Rot. Bonds3

About [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol

[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 106364055) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID106364055
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESOCC1CCCC1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3O/c12-8-4-9(18-10(17-8)11(13,14)15)16-7-3-1-2-6(7)5-19/h4,6-7,19H,1-3,5H2,(H,16,17,18)
InChIKeyCINQQQASHKNNFP-UHFFFAOYSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 106364055) is [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is OCC1CCCC1Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is CINQQQASHKNNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c12-8-4-9(18-10(17-8)11(13,14)15)16-7-3-1-2-6(7)5-19/h4,6-7,19H,1-3,5H2,(H,16,17,18).
What are the key properties of [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 295.69 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106364055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).