6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine

C24H38N6O2 — CID 89332288

IUPAC6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2cc(C)c(C)o2)nc(OCCN2CCCCC2)n1
InChIInChI=1S/C24H38N6O2/c1-5-10-30(11-6-2)22-17-21(18-25-28-23-16-19(3)20(4)32-23)26-24(27-22)31-15-14-29-12-8-7-9-13-29/h16-18,28H,5-15H2,1-4H3/b25-18+
InChIKeyIGLXKKPJJUBUED-XIEYBQDHSA-N
MW442.61 g/mol
LogP4.62
Rot. Bonds12

About 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine

6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine (PubChem CID 89332288) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
PubChem CID89332288
Molecular FormulaC24H38N6O2
Molecular Weight442.61 g/mol
Exact Mass442.31
IUPAC Name6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2cc(C)c(C)o2)nc(OCCN2CCCCC2)n1
InChIInChI=1S/C24H38N6O2/c1-5-10-30(11-6-2)22-17-21(18-25-28-23-16-19(3)20(4)32-23)26-24(27-22)31-15-14-29-12-8-7-9-13-29/h16-18,28H,5-15H2,1-4H3/b25-18+
InChIKeyIGLXKKPJJUBUED-XIEYBQDHSA-N
XLogP4.62
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The IUPAC name of 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine (CID 89332288) is 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine is CCCN(CCC)c1cc(/C=N/Nc2cc(C)c(C)o2)nc(OCCN2CCCCC2)n1.
What is the InChIKey of 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The InChIKey is IGLXKKPJJUBUED-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-5-10-30(11-6-2)22-17-21(18-25-28-23-16-19(3)20(4)32-23)26-24(27-22)31-15-14-29-12-8-7-9-13-29/h16-18,28H,5-15H2,1-4H3/b25-18+.
What are the key properties of 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine has a molecular weight of 442.61 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine is sourced from PubChem (CID 89332288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).