4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine

C8H8BrFN6 — CID 106463812

IUPAC4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2c(Br)nnn2C)n1
InChIInChI=1S/C8H8BrFN6/c1-11-8-12-3-4(10)5(13-8)6-7(9)14-15-16(6)2/h3H,1-2H3,(H,11,12,13)
InChIKeyDOONBPTYHXKGLA-UHFFFAOYSA-N
MW287.10 g/mol
LogP1.22
Rot. Bonds2

About 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 106463812) has the molecular formula C8H8BrFN6 and a molecular weight of 287.10 g/mol. Its IUPAC name is 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID106463812
Molecular FormulaC8H8BrFN6
Molecular Weight287.10 g/mol
Exact Mass286.00
IUPAC Name4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2c(Br)nnn2C)n1
InChIInChI=1S/C8H8BrFN6/c1-11-8-12-3-4(10)5(13-8)6-7(9)14-15-16(6)2/h3H,1-2H3,(H,11,12,13)
InChIKeyDOONBPTYHXKGLA-UHFFFAOYSA-N
XLogP1.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 106463812) is 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(-c2c(Br)nnn2C)n1.
What is the InChIKey of 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is DOONBPTYHXKGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN6/c1-11-8-12-3-4(10)5(13-8)6-7(9)14-15-16(6)2/h3H,1-2H3,(H,11,12,13).
What are the key properties of 4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 287.10 g/mol, XLogP of 1.22, 2 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-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 106463812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).