4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine

C13H14N6O — CID 164625925

IUPAC4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccnn2ncc(-c3ccnc(N(C)C)n3)c12
InChIInChI=1S/C13H14N6O/c1-18(2)13-14-6-4-10(17-13)9-8-16-19-12(9)11(20-3)5-7-15-19/h4-8H,1-3H3
InChIKeyWLEOACUDKYLNIV-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.26
Rot. Bonds3

About 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine

4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 164625925) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID164625925
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccnn2ncc(-c3ccnc(N(C)C)n3)c12
InChIInChI=1S/C13H14N6O/c1-18(2)13-14-6-4-10(17-13)9-8-16-19-12(9)11(20-3)5-7-15-19/h4-8H,1-3H3
InChIKeyWLEOACUDKYLNIV-UHFFFAOYSA-N
XLogP1.26
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine (CID 164625925) is 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine is COc1ccnn2ncc(-c3ccnc(N(C)C)n3)c12.
What is the InChIKey of 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is WLEOACUDKYLNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-18(2)13-14-6-4-10(17-13)9-8-16-19-12(9)11(20-3)5-7-15-19/h4-8H,1-3H3.
What are the key properties of 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine?
4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 270.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 164625925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).