4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine

C7H6BrFN6 — CID 106463765

IUPAC4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine
SMILESCn1nnc(Br)c1-c1nc(N)ncc1F
InChIInChI=1S/C7H6BrFN6/c1-15-5(6(8)13-14-15)4-3(9)2-11-7(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyXOFQUDPCLUGKPW-UHFFFAOYSA-N
MW273.07 g/mol
LogP0.76
Rot. Bonds1

About 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine

4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine (PubChem CID 106463765) has the molecular formula C7H6BrFN6 and a molecular weight of 273.07 g/mol. Its IUPAC name is 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine
PubChem CID106463765
Molecular FormulaC7H6BrFN6
Molecular Weight273.07 g/mol
Exact Mass271.98
IUPAC Name4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine
SMILESCn1nnc(Br)c1-c1nc(N)ncc1F
InChIInChI=1S/C7H6BrFN6/c1-15-5(6(8)13-14-15)4-3(9)2-11-7(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyXOFQUDPCLUGKPW-UHFFFAOYSA-N
XLogP0.76
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-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 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine (CID 106463765) is 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine is Cn1nnc(Br)c1-c1nc(N)ncc1F.
What is the InChIKey of 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is XOFQUDPCLUGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN6/c1-15-5(6(8)13-14-15)4-3(9)2-11-7(10)12-4/h2H,1H3,(H2,10,11,12).
What are the key properties of 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine?
4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 273.07 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 106463765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).