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

C11H15F3N4O — CID 106368134

IUPAC[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESNc1cc(NC2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-17-8(15)4-9(18-10)16-7-3-1-2-6(7)5-19/h4,6-7,19H,1-3,5H2,(H3,15,16,17,18)
InChIKeyGHCBDNUFCPXLJM-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.65
Rot. Bonds3

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

[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 106368134) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID106368134
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESNc1cc(NC2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-17-8(15)4-9(18-10)16-7-3-1-2-6(7)5-19/h4,6-7,19H,1-3,5H2,(H3,15,16,17,18)
InChIKeyGHCBDNUFCPXLJM-UHFFFAOYSA-N
XLogP1.65
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 106368134) is [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is Nc1cc(NC2CCCC2CO)nc(C(F)(F)F)n1.
What is the InChIKey of [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is GHCBDNUFCPXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10-17-8(15)4-9(18-10)16-7-3-1-2-6(7)5-19/h4,6-7,19H,1-3,5H2,(H3,15,16,17,18).
What are the key properties of [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 276.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106368134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).