N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C16H20N6O — CID 164619979

IUPACN-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCCCN(CCOC)c1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C16H20N6O/c1-3-9-21(10-11-23-2)16-17-8-6-14(20-16)13-12-19-22-15(13)5-4-7-18-22/h4-8,12H,3,9-11H2,1-2H3
InChIKeyAZOBQLYUBROPJX-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.05
Rot. Bonds7

About N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 164619979) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID164619979
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCCCN(CCOC)c1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C16H20N6O/c1-3-9-21(10-11-23-2)16-17-8-6-14(20-16)13-12-19-22-15(13)5-4-7-18-22/h4-8,12H,3,9-11H2,1-2H3
InChIKeyAZOBQLYUBROPJX-UHFFFAOYSA-N
XLogP2.05
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 164619979) is N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CCCN(CCOC)c1nccc(-c2cnn3ncccc23)n1.
What is the InChIKey of N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is AZOBQLYUBROPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-3-9-21(10-11-23-2)16-17-8-6-14(20-16)13-12-19-22-15(13)5-4-7-18-22/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 164619979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).