4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H15F3N4O — CID 103541859

IUPAC4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-10-16-8(11(12,13)14)5-9(17-10)18-4-3-7(6-18)19-2/h5,7H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyFJTNZZAGBBMRHR-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.76
Rot. Bonds3

About 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 103541859) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID103541859
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-10-16-8(11(12,13)14)5-9(17-10)18-4-3-7(6-18)19-2/h5,7H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyFJTNZZAGBBMRHR-UHFFFAOYSA-N
XLogP1.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 103541859) is 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FJTNZZAGBBMRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-15-10-16-8(11(12,13)14)5-9(17-10)18-4-3-7(6-18)19-2/h5,7H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 276.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 103541859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).