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

C15H18N6O — CID 164619798

IUPACN-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCOCCCN(C)c1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C15H18N6O/c1-20(9-4-10-22-2)15-16-8-6-13(19-15)12-11-18-21-14(12)5-3-7-17-21/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyKVJGHBMQKLQYHS-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.66
Rot. Bonds6

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

N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 164619798) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID164619798
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCOCCCN(C)c1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C15H18N6O/c1-20(9-4-10-22-2)15-16-8-6-13(19-15)12-11-18-21-14(12)5-3-7-17-21/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyKVJGHBMQKLQYHS-UHFFFAOYSA-N
XLogP1.66
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 164619798) is N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is COCCCN(C)c1nccc(-c2cnn3ncccc23)n1.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is KVJGHBMQKLQYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-20(9-4-10-22-2)15-16-8-6-13(19-15)12-11-18-21-14(12)5-3-7-17-21/h3,5-8,11H,4,9-10H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 298.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 164619798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).