6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C11H15F3N4O — CID 106774343

IUPAC6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCCN2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-8(15)7-9(17-10)19-6-5-18-3-1-2-4-18/h7H,1-6H2,(H2,15,16,17)
InChIKeyREMYFXAZJCUSTM-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.55
Rot. Bonds4

About 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774343) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774343
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCCN2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-8(15)7-9(17-10)19-6-5-18-3-1-2-4-18/h7H,1-6H2,(H2,15,16,17)
InChIKeyREMYFXAZJCUSTM-UHFFFAOYSA-N
XLogP1.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774343) is 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(OCCN2CCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is REMYFXAZJCUSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10-16-8(15)7-9(17-10)19-6-5-18-3-1-2-4-18/h7H,1-6H2,(H2,15,16,17).
What are the key properties of 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 276.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).