6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

C20H25N7O2 — CID 2915483

IUPAC6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C20H25N7O2/c1-13(2)21-18-23-19(22-14(3)4)25-20(24-18)29-17-11-10-16(26-27-17)28-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyZYLUPYCFBAFORC-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.67
Rot. Bonds9

About 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 2915483) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID2915483
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C20H25N7O2/c1-13(2)21-18-23-19(22-14(3)4)25-20(24-18)29-17-11-10-16(26-27-17)28-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyZYLUPYCFBAFORC-UHFFFAOYSA-N
XLogP3.67
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (CID 2915483) is 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1.
What is the InChIKey of 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZYLUPYCFBAFORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13(2)21-18-23-19(22-14(3)4)25-20(24-18)29-17-11-10-16(26-27-17)28-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 395.47 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2915483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).