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

C24H40N6O2S — CID 143533547

IUPAC2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine
SMILESC=C(CC)S/C(=C\C)N/N=C/c1nc(OCCN2CCOCC2)cc(N(CCC)CCC)n1
InChIInChI=1S/C24H40N6O2S/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/h9,18-19,28H,5-8,10-17H2,1-4H3/b24-9-,25-19+
InChIKeyOAELLXTZTNYRHC-BLCHJPMFSA-N
MW476.69 g/mol
LogP4.26
Rot. Bonds15

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

2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine (PubChem CID 143533547) has the molecular formula C24H40N6O2S and a molecular weight of 476.69 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.

Molecular Properties

Compound Name2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine
PubChem CID143533547
Molecular FormulaC24H40N6O2S
Molecular Weight476.69 g/mol
Exact Mass476.29
IUPAC Name2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine
SMILESC=C(CC)S/C(=C\C)N/N=C/c1nc(OCCN2CCOCC2)cc(N(CCC)CCC)n1
InChIInChI=1S/C24H40N6O2S/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/h9,18-19,28H,5-8,10-17H2,1-4H3/b24-9-,25-19+
InChIKeyOAELLXTZTNYRHC-BLCHJPMFSA-N
XLogP4.26
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
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 (CID 143533547) is 2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine.
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?
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 is C=C(CC)S/C(=C\C)N/N=C/c1nc(OCCN2CCOCC2)cc(N(CCC)CCC)n1.
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?
The InChIKey is OAELLXTZTNYRHC-BLCHJPMFSA-N. The full InChI is InChI=1S/C24H40N6O2S/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/h9,18-19,28H,5-8,10-17H2,1-4H3/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?
2-[(E)-[[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine has a molecular weight of 476.69 g/mol, XLogP of 4.26, 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 is sourced from PubChem (CID 143533547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).