2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine

C13H20F3N3O — CID 143219252

IUPAC2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
SMILESCCc1nc(CC)c(CCN)c(OCCC(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-3-10-9(5-7-17)12(19-11(4-2)18-10)20-8-6-13(14,15)16/h3-8,17H2,1-2H3
InChIKeyTXGUCBBDGKRJFM-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.43
Rot. Bonds7

About 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine

2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine (PubChem CID 143219252) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
PubChem CID143219252
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
SMILESCCc1nc(CC)c(CCN)c(OCCC(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-3-10-9(5-7-17)12(19-11(4-2)18-10)20-8-6-13(14,15)16/h3-8,17H2,1-2H3
InChIKeyTXGUCBBDGKRJFM-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine (CID 143219252) is 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine is CCc1nc(CC)c(CCN)c(OCCC(F)(F)F)n1.
What is the InChIKey of 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The InChIKey is TXGUCBBDGKRJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-10-9(5-7-17)12(19-11(4-2)18-10)20-8-6-13(14,15)16/h3-8,17H2,1-2H3.
What are the key properties of 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine has a molecular weight of 291.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-diethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 143219252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).