6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine

C24H40N6OS — CID 89331918

IUPAC6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/NC2=CCC(CC)S2)nc(OCCN2CCCCC2)n1
InChIInChI=1S/C24H40N6OS/c1-4-12-30(13-5-2)22-18-20(19-25-28-23-11-10-21(6-3)32-23)26-24(27-22)31-17-16-29-14-8-7-9-15-29/h11,18-19,21,28H,4-10,12-17H2,1-3H3/b25-19+
InChIKeyTTWVSWAOISXWCV-NCELDCMTSA-N
MW460.69 g/mol
LogP4.65
Rot. Bonds13

About 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine

6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine (PubChem CID 89331918) has the molecular formula C24H40N6OS and a molecular weight of 460.69 g/mol. Its IUPAC name is 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
PubChem CID89331918
Molecular FormulaC24H40N6OS
Molecular Weight460.69 g/mol
Exact Mass460.30
IUPAC Name6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/NC2=CCC(CC)S2)nc(OCCN2CCCCC2)n1
InChIInChI=1S/C24H40N6OS/c1-4-12-30(13-5-2)22-18-20(19-25-28-23-11-10-21(6-3)32-23)26-24(27-22)31-17-16-29-14-8-7-9-15-29/h11,18-19,21,28H,4-10,12-17H2,1-3H3/b25-19+
InChIKeyTTWVSWAOISXWCV-NCELDCMTSA-N
XLogP4.65
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.69
LogP ≤ 54.65
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)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The IUPAC name of 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine (CID 89331918) is 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine is CCCN(CCC)c1cc(/C=N/NC2=CCC(CC)S2)nc(OCCN2CCCCC2)n1.
What is the InChIKey of 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
The InChIKey is TTWVSWAOISXWCV-NCELDCMTSA-N. The full InChI is InChI=1S/C24H40N6OS/c1-4-12-30(13-5-2)22-18-20(19-25-28-23-11-10-21(6-3)32-23)26-24(27-22)31-17-16-29-14-8-7-9-15-29/h11,18-19,21,28H,4-10,12-17H2,1-3H3/b25-19+.
What are the key properties of 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine?
6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine has a molecular weight of 460.69 g/mol, XLogP of 4.65, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine is sourced from PubChem (CID 89331918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).