2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C11H16F3N3O — CID 80942433

IUPAC2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C11H16F3N3O/c1-3-5-15-9-6-10(17-8(4-2)16-9)18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyQTBLIOYLOHBUHQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.80
Rot. Bonds6

About 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80942433) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80942433
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C11H16F3N3O/c1-3-5-15-9-6-10(17-8(4-2)16-9)18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyQTBLIOYLOHBUHQ-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80942433) is 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCNc1cc(OCC(F)(F)F)nc(CC)n1.
What is the InChIKey of 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is QTBLIOYLOHBUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-5-15-9-6-10(17-8(4-2)16-9)18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80942433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).