2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine

C13H20F3N3 — CID 55136170

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C13H20F3N3/c1-5-17-7-8(2)12-9(3)18-11(19-10(12)4)6-13(14,15)16/h8,17H,5-7H2,1-4H3
InChIKeyGPZVQFMSICMGPJ-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.91
Rot. Bonds5

About 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine (PubChem CID 55136170) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
PubChem CID55136170
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C13H20F3N3/c1-5-17-7-8(2)12-9(3)18-11(19-10(12)4)6-13(14,15)16/h8,17H,5-7H2,1-4H3
InChIKeyGPZVQFMSICMGPJ-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine (CID 55136170) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine is CCNCC(C)c1c(C)nc(CC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine?
The InChIKey is GPZVQFMSICMGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-5-17-7-8(2)12-9(3)18-11(19-10(12)4)6-13(14,15)16/h8,17H,5-7H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine?
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 2.91, 5 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-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 55136170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).