4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine

C13H14N6O — CID 164612323

IUPAC4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc2c(-c3ccnc(N(C)C)n3)cnn2n1
InChIInChI=1S/C13H14N6O/c1-18(2)13-14-7-6-10(16-13)9-8-15-19-11(9)4-5-12(17-19)20-3/h4-8H,1-3H3
InChIKeyQRKPMAAJUNEYGE-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.26
Rot. Bonds3

About 4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine

4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 164612323) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID164612323
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc2c(-c3ccnc(N(C)C)n3)cnn2n1
InChIInChI=1S/C13H14N6O/c1-18(2)13-14-7-6-10(16-13)9-8-15-19-11(9)4-5-12(17-19)20-3/h4-8H,1-3H3
InChIKeyQRKPMAAJUNEYGE-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-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine (CID 164612323) is 4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine is COc1ccc2c(-c3ccnc(N(C)C)n3)cnn2n1.
What is the InChIKey of 4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is QRKPMAAJUNEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-18(2)13-14-7-6-10(16-13)9-8-15-19-11(9)4-5-12(17-19)20-3/h4-8H,1-3H3.
What are the key properties of 4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine?
4-(6-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-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 164612323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).