6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane

C13H15BrN6 — CID 171535817

IUPAC6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
SMILESCC.Cc1c(Br)c(-c2ncccn2)c2c(N)ncnn12
InChIInChI=1S/C11H9BrN6.C2H6/c1-6-8(12)7(11-14-3-2-4-15-11)9-10(13)16-5-17-18(6)9;1-2/h2-5H,1H3,(H2,13,16,17);1-2H3
InChIKeyJXVIWLUTOMLILD-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.87
Rot. Bonds1

About 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane

6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane (PubChem CID 171535817) has the molecular formula C13H15BrN6 and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane.

Molecular Properties

Compound Name6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
PubChem CID171535817
Molecular FormulaC13H15BrN6
Molecular Weight335.21 g/mol
Exact Mass334.05
IUPAC Name6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
SMILESCC.Cc1c(Br)c(-c2ncccn2)c2c(N)ncnn12
InChIInChI=1S/C11H9BrN6.C2H6/c1-6-8(12)7(11-14-3-2-4-15-11)9-10(13)16-5-17-18(6)9;1-2/h2-5H,1H3,(H2,13,16,17);1-2H3
InChIKeyJXVIWLUTOMLILD-UHFFFAOYSA-N
XLogP2.87
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The IUPAC name of 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane (CID 171535817) is 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane.
What is the SMILES notation for 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The canonical SMILES for 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane is CC.Cc1c(Br)c(-c2ncccn2)c2c(N)ncnn12.
What is the InChIKey of 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The InChIKey is JXVIWLUTOMLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN6.C2H6/c1-6-8(12)7(11-14-3-2-4-15-11)9-10(13)16-5-17-18(6)9;1-2/h2-5H,1H3,(H2,13,16,17);1-2H3.
What are the key properties of 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane has a molecular weight of 335.21 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane is sourced from PubChem (CID 171535817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).