2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine

C13H20F3N3 — CID 79964087

IUPAC2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C13H20F3N3/c1-4-17-8-6-11-9(2)18-12(19-10(11)3)5-7-13(14,15)16/h17H,4-8H2,1-3H3
InChIKeyXUEBFJAPOUFMBJ-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.74
Rot. Bonds6

About 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine

2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine (PubChem CID 79964087) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine
PubChem CID79964087
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C13H20F3N3/c1-4-17-8-6-11-9(2)18-12(19-10(11)3)5-7-13(14,15)16/h17H,4-8H2,1-3H3
InChIKeyXUEBFJAPOUFMBJ-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine (CID 79964087) is 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine is CCNCCc1c(C)nc(CCC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine?
The InChIKey is XUEBFJAPOUFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-4-17-8-6-11-9(2)18-12(19-10(11)3)5-7-13(14,15)16/h17H,4-8H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine?
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine has a molecular weight of 275.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine is sourced from PubChem (CID 79964087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).