N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine

C12H14BrN5 — CID 166710127

IUPACN-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(Br)nn1)c1ncccn1
InChIInChI=1S/C12H14BrN5/c1-2-10(12-14-6-3-7-15-12)16-8-9-4-5-11(13)18-17-9/h3-7,10,16H,2,8H2,1H3
InChIKeyUQJXHDCJKXKTDR-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.27
Rot. Bonds5

About N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine

N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine (PubChem CID 166710127) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine
PubChem CID166710127
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(Br)nn1)c1ncccn1
InChIInChI=1S/C12H14BrN5/c1-2-10(12-14-6-3-7-15-12)16-8-9-4-5-11(13)18-17-9/h3-7,10,16H,2,8H2,1H3
InChIKeyUQJXHDCJKXKTDR-UHFFFAOYSA-N
XLogP2.27
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine?
The IUPAC name of N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine (CID 166710127) is N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine.
What is the SMILES notation for N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine?
The canonical SMILES for N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine is CCC(NCc1ccc(Br)nn1)c1ncccn1.
What is the InChIKey of N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine?
The InChIKey is UQJXHDCJKXKTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-2-10(12-14-6-3-7-15-12)16-8-9-4-5-11(13)18-17-9/h3-7,10,16H,2,8H2,1H3.
What are the key properties of N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine?
N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine has a molecular weight of 308.18 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine is sourced from PubChem (CID 166710127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).