5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H11BrF3N3 — CID 66306078

IUPAC5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C9H11BrF3N3/c1-3-14-8-7(10)5(2)15-6(16-8)4-9(11,12)13/h3-4H2,1-2H3,(H,14,15,16)
InChIKeyCXTFXDUFIXQVFN-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.08
Rot. Bonds3

About 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66306078) has the molecular formula C9H11BrF3N3 and a molecular weight of 298.11 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66306078
Molecular FormulaC9H11BrF3N3
Molecular Weight298.11 g/mol
Exact Mass297.01
IUPAC Name5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C9H11BrF3N3/c1-3-14-8-7(10)5(2)15-6(16-8)4-9(11,12)13/h3-4H2,1-2H3,(H,14,15,16)
InChIKeyCXTFXDUFIXQVFN-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66306078) is 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCNc1nc(CC(F)(F)F)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is CXTFXDUFIXQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3/c1-3-14-8-7(10)5(2)15-6(16-8)4-9(11,12)13/h3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 298.11 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66306078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).