6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C11H16F3N3O2 — CID 66325084

IUPAC6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCOCC(F)(F)F)nc(C)n1
InChIInChI=1S/C11H16F3N3O2/c1-3-19-10-6-9(16-8(2)17-10)15-4-5-18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyUPUUGOOMTXNGGE-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.17
Rot. Bonds7

About 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 66325084) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID66325084
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCOCC(F)(F)F)nc(C)n1
InChIInChI=1S/C11H16F3N3O2/c1-3-19-10-6-9(16-8(2)17-10)15-4-5-18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyUPUUGOOMTXNGGE-UHFFFAOYSA-N
XLogP2.17
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 66325084) is 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCOc1cc(NCCOCC(F)(F)F)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is UPUUGOOMTXNGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-3-19-10-6-9(16-8(2)17-10)15-4-5-18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 279.26 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66325084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).