6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C11H16F3N3O2 — CID 66326872

IUPAC6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCCOCC(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O2/c1-3-19-10-8(2)9(16-7-17-10)15-4-5-18-6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyIAWDMXPHCSRHNN-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.17
Rot. Bonds7

About 6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 66326872) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID66326872
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCCOCC(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O2/c1-3-19-10-8(2)9(16-7-17-10)15-4-5-18-6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyIAWDMXPHCSRHNN-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-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 66326872) is 6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCOc1ncnc(NCCOCC(F)(F)F)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is IAWDMXPHCSRHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-3-19-10-8(2)9(16-7-17-10)15-4-5-18-6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-ethoxy-5-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-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66326872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).