4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine

C19H22N6O3 — CID 2950623

IUPAC4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C19H22N6O3/c1-13(2)11-20-17-21-18(26-3)23-19(22-17)28-16-10-9-15(24-25-16)27-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,21,22,23)
InChIKeyIXYBUUXDMDDDJG-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.11
Rot. Bonds9

About 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine

4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine (PubChem CID 2950623) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine
PubChem CID2950623
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C19H22N6O3/c1-13(2)11-20-17-21-18(26-3)23-19(22-17)28-16-10-9-15(24-25-16)27-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,21,22,23)
InChIKeyIXYBUUXDMDDDJG-UHFFFAOYSA-N
XLogP3.11
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine (CID 2950623) is 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine is COc1nc(NCC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1.
What is the InChIKey of 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine?
The InChIKey is IXYBUUXDMDDDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13(2)11-20-17-21-18(26-3)23-19(22-17)28-16-10-9-15(24-25-16)27-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,21,22,23).
What are the key properties of 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine?
4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine has a molecular weight of 382.42 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylpropyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 2950623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).