[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C11H15F3N4O — CID 106771026

IUPAC[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(N2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-8-5-9(17-10(16-8)11(12,13)14)18-4-2-3-7(18)6-19/h5,7,19H,2-4,6H2,1H3,(H,15,16,17)
InChIKeyZRZKPHFOFHFSNH-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.50
Rot. Bonds3

About [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 106771026) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID106771026
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(N2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-8-5-9(17-10(16-8)11(12,13)14)18-4-2-3-7(18)6-19/h5,7,19H,2-4,6H2,1H3,(H,15,16,17)
InChIKeyZRZKPHFOFHFSNH-UHFFFAOYSA-N
XLogP1.50
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 106771026) is [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CNc1cc(N2CCCC2CO)nc(C(F)(F)F)n1.
What is the InChIKey of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ZRZKPHFOFHFSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-15-8-5-9(17-10(16-8)11(12,13)14)18-4-2-3-7(18)6-19/h5,7,19H,2-4,6H2,1H3,(H,15,16,17).
What are the key properties of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 276.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 106771026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).