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

C12H17F3N4O — CID 106368104

IUPAC[2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCNc1cc(NC2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-9-5-10(19-11(18-9)12(13,14)15)17-8-4-2-3-7(8)6-20/h5,7-8,20H,2-4,6H2,1H3,(H2,16,17,18,19)
InChIKeyBAQRVJLYFLLICL-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.11
Rot. Bonds4

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

[2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 106368104) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID106368104
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCNc1cc(NC2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-9-5-10(19-11(18-9)12(13,14)15)17-8-4-2-3-7(8)6-20/h5,7-8,20H,2-4,6H2,1H3,(H2,16,17,18,19)
InChIKeyBAQRVJLYFLLICL-UHFFFAOYSA-N
XLogP2.11
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 106368104) is [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is CNc1cc(NC2CCCC2CO)nc(C(F)(F)F)n1.
What is the InChIKey of [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is BAQRVJLYFLLICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-16-9-5-10(19-11(18-9)12(13,14)15)17-8-4-2-3-7(8)6-20/h5,7-8,20H,2-4,6H2,1H3,(H2,16,17,18,19).
What are the key properties of [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 290.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106368104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).