2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine

C23H38N6O2S — CID 89332245

IUPAC2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine
SMILESCCCN(CCC)c1cc(OCCN2CCOCC2)nc(/C=N/NC2=CCC(CC)S2)n1
InChIInChI=1S/C23H38N6O2S/c1-4-9-29(10-5-2)21-17-22(31-16-13-28-11-14-30-15-12-28)26-20(25-21)18-24-27-23-8-7-19(6-3)32-23/h8,17-19,27H,4-7,9-16H2,1-3H3/b24-18+
InChIKeyOHRKOILQUUDDFT-HKOYGPOVSA-N
MW462.66 g/mol
LogP3.49
Rot. Bonds13

About 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine

2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine (PubChem CID 89332245) has the molecular formula C23H38N6O2S and a molecular weight of 462.66 g/mol. Its IUPAC name is 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine
PubChem CID89332245
Molecular FormulaC23H38N6O2S
Molecular Weight462.66 g/mol
Exact Mass462.28
IUPAC Name2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine
SMILESCCCN(CCC)c1cc(OCCN2CCOCC2)nc(/C=N/NC2=CCC(CC)S2)n1
InChIInChI=1S/C23H38N6O2S/c1-4-9-29(10-5-2)21-17-22(31-16-13-28-11-14-30-15-12-28)26-20(25-21)18-24-27-23-8-7-19(6-3)32-23/h8,17-19,27H,4-7,9-16H2,1-3H3/b24-18+
InChIKeyOHRKOILQUUDDFT-HKOYGPOVSA-N
XLogP3.49
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 53.49
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)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The IUPAC name of 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine (CID 89332245) is 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine.
What is the SMILES notation for 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The canonical SMILES for 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine is CCCN(CCC)c1cc(OCCN2CCOCC2)nc(/C=N/NC2=CCC(CC)S2)n1.
What is the InChIKey of 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The InChIKey is OHRKOILQUUDDFT-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H38N6O2S/c1-4-9-29(10-5-2)21-17-22(31-16-13-28-11-14-30-15-12-28)26-20(25-21)18-24-27-23-8-7-19(6-3)32-23/h8,17-19,27H,4-7,9-16H2,1-3H3/b24-18+.
What are the key properties of 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine has a molecular weight of 462.66 g/mol, XLogP of 3.49, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine is sourced from PubChem (CID 89332245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).