5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C12H11BrN6 — CID 164613779

IUPAC5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCN(C)c1ncc(Br)c(-c2cnn3ncccc23)n1
InChIInChI=1S/C12H11BrN6/c1-18(2)12-14-7-9(13)11(17-12)8-6-16-19-10(8)4-3-5-15-19/h3-7H,1-2H3
InChIKeyMQUSFXBLGYGHMF-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.01
Rot. Bonds2

About 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 164613779) has the molecular formula C12H11BrN6 and a molecular weight of 319.17 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID164613779
Molecular FormulaC12H11BrN6
Molecular Weight319.17 g/mol
Exact Mass318.02
IUPAC Name5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCN(C)c1ncc(Br)c(-c2cnn3ncccc23)n1
InChIInChI=1S/C12H11BrN6/c1-18(2)12-14-7-9(13)11(17-12)8-6-16-19-10(8)4-3-5-15-19/h3-7H,1-2H3
InChIKeyMQUSFXBLGYGHMF-UHFFFAOYSA-N
XLogP2.01
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 164613779) is 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CN(C)c1ncc(Br)c(-c2cnn3ncccc23)n1.
What is the InChIKey of 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is MQUSFXBLGYGHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6/c1-18(2)12-14-7-9(13)11(17-12)8-6-16-19-10(8)4-3-5-15-19/h3-7H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 319.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 164613779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).