2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione

C25H22N6O2S — CID 139987720

IUPAC2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESCC(C)(C)c1cc2c(NN=Cc3cccc(CN4C(=O)c5ccccc5C4=O)n3)ncnc2s1
InChIInChI=1S/C25H22N6O2S/c1-25(2,3)20-11-19-21(26-14-27-22(19)34-20)30-28-12-15-7-6-8-16(29-15)13-31-23(32)17-9-4-5-10-18(17)24(31)33/h4-12,14H,13H2,1-3H3,(H,26,27,30)
InChIKeyBJWNIOSGURMAKT-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.63
Rot. Bonds5

About 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione

2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 139987720) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID139987720
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC Name2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESCC(C)(C)c1cc2c(NN=Cc3cccc(CN4C(=O)c5ccccc5C4=O)n3)ncnc2s1
InChIInChI=1S/C25H22N6O2S/c1-25(2,3)20-11-19-21(26-14-27-22(19)34-20)30-28-12-15-7-6-8-16(29-15)13-31-23(32)17-9-4-5-10-18(17)24(31)33/h4-12,14H,13H2,1-3H3,(H,26,27,30)
InChIKeyBJWNIOSGURMAKT-UHFFFAOYSA-N
XLogP4.63
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.63
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine
CID 75054373
2-[[4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methyl]isoindole-1,3-dione
CID 139987704
6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987573
2-[4-[2-[[4-(aminomethyl)phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropan-1-ol
CID 139987623
6-tert-butyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987613
6-tert-butyl-N-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 75178763
6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 5332196
[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol
CID 70037477
[2-[4-[(2E)-2-[[4-[(dimethylamino)methyl]phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropyl] acetate
CID 142150558
6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10215659
6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10236989
N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 139987696

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione (CID 139987720) is 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione is CC(C)(C)c1cc2c(NN=Cc3cccc(CN4C(=O)c5ccccc5C4=O)n3)ncnc2s1.
What is the InChIKey of 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is BJWNIOSGURMAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c1-25(2,3)20-11-19-21(26-14-27-22(19)34-20)30-28-12-15-7-6-8-16(29-15)13-31-23(32)17-9-4-5-10-18(17)24(31)33/h4-12,14H,13H2,1-3H3,(H,26,27,30).
What are the key properties of 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione?
2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 470.56 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 139987720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).