2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane

C26H46N6O2S — CID 143533546

About 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane

2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane (PubChem CID 143533546) has the molecular formula C26H46N6O2S and a molecular weight of 506.76 g/mol. Its IUPAC name is 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane.

Molecular Properties

• Compound Name: 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane
• PubChem CID: 143533546
• Molecular Formula: C26H46N6O2S
• Molecular Weight: 506.76 g/mol
• Exact Mass: 506.34
• IUPAC Name: 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane
• SMILES: C=C(CC)S/C(=C\C)N/N=C/c1nc(OCCN2CCOCC2)cc(N(CCC)CCC)n1.CC
• InChI: InChI=1S/C24H40N6O2S.C2H6/c1-6-10-30(11-7-2)22-18-23(32-17-14-29-12-15-31-16-13-29)27-21(26-22)19-25-28-24(9-4)33-20(5)8-3;1-2/h9,18-19,28H,5-8,10-17H2,1-4H3;1-2H3/b24-9-,25-19+
• InChIKey: UOEJAWLFOUYEBA-YOXCZXBTSA-N
• XLogP: 5.28
• TPSA: 75.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.76
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane?

The IUPAC name of 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane (CID 143533546) is 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane.

What is the SMILES notation for 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane?

The canonical SMILES for 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane is C=C(CC)S/C(=C\C)N/N=C/c1nc(OCCN2CCOCC2)cc(N(CCC)CCC)n1.CC.

What is the InChIKey of 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane?

The InChIKey is UOEJAWLFOUYEBA-YOXCZXBTSA-N. The full InChI is InChI=1S/C24H40N6O2S.C2H6/c1-6-10-30(11-7-2)22-18-23(32-17-14-29-12-15-31-16-13-29)27-21(26-22)19-25-28-24(9-4)33-20(5)8-3;1-2/h9,18-19,28H,5-8,10-17H2,1-4H3;1-2H3/b24-9-,25-19+;.

What are the key properties of 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane?

2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane has a molecular weight of 506.76 g/mol, XLogP of 5.28, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine;ethane is sourced from PubChem (CID 143533546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).