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

C11H15BrF3N3O — CID 103150374

IUPAC5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCNc1nc(CCOCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C11H15BrF3N3O/c1-3-16-10-9(12)7(2)17-8(18-10)4-5-19-6-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyALPRRGBBARGJCY-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.10
Rot. Bonds6

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

5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150374) has the molecular formula C11H15BrF3N3O and a molecular weight of 342.16 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150374
Molecular FormulaC11H15BrF3N3O
Molecular Weight342.16 g/mol
Exact Mass341.04
IUPAC Name5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCNc1nc(CCOCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C11H15BrF3N3O/c1-3-16-10-9(12)7(2)17-8(18-10)4-5-19-6-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyALPRRGBBARGJCY-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150374) is 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCNc1nc(CCOCC(F)(F)F)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is ALPRRGBBARGJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3O/c1-3-16-10-9(12)7(2)17-8(18-10)4-5-19-6-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 342.16 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).