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

C8H9BrF3N3O — CID 106998768

IUPAC5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N(C)CC(F)(F)F)ncc1Br
InChIInChI=1S/C8H9BrF3N3O/c1-15(4-8(10,11)12)7-13-3-5(9)6(14-7)16-2/h3H,4H2,1-2H3
InChIKeyKJRSNCYHMVTXIV-UHFFFAOYSA-N
MW300.08 g/mol
LogP2.25
Rot. Bonds3

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

5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 106998768) has the molecular formula C8H9BrF3N3O and a molecular weight of 300.08 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID106998768
Molecular FormulaC8H9BrF3N3O
Molecular Weight300.08 g/mol
Exact Mass298.99
IUPAC Name5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N(C)CC(F)(F)F)ncc1Br
InChIInChI=1S/C8H9BrF3N3O/c1-15(4-8(10,11)12)7-13-3-5(9)6(14-7)16-2/h3H,4H2,1-2H3
InChIKeyKJRSNCYHMVTXIV-UHFFFAOYSA-N
XLogP2.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 106998768) is 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is COc1nc(N(C)CC(F)(F)F)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is KJRSNCYHMVTXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3O/c1-15(4-8(10,11)12)7-13-3-5(9)6(14-7)16-2/h3H,4H2,1-2H3.
What are the key properties of 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 300.08 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 106998768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).