2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

C15H12Br2N4OS — CID 3601514

IUPAC2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCCc1cc2c(NN=Cc3cc(Br)cc(Br)c3O)ncnc2s1
InChIInChI=1S/C15H12Br2N4OS/c1-2-10-5-11-14(18-7-19-15(11)23-10)21-20-6-8-3-9(16)4-12(17)13(8)22/h3-7,22H,2H2,1H3,(H,18,19,21)
InChIKeyWEZUBQSMEJJAHA-UHFFFAOYSA-N
MW456.16 g/mol
LogP4.93
Rot. Bonds4

About 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 3601514) has the molecular formula C15H12Br2N4OS and a molecular weight of 456.16 g/mol. Its IUPAC name is 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID3601514
Molecular FormulaC15H12Br2N4OS
Molecular Weight456.16 g/mol
Exact Mass453.91
IUPAC Name2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCCc1cc2c(NN=Cc3cc(Br)cc(Br)c3O)ncnc2s1
InChIInChI=1S/C15H12Br2N4OS/c1-2-10-5-11-14(18-7-19-15(11)23-10)21-20-6-8-3-9(16)4-12(17)13(8)22/h3-7,22H,2H2,1H3,(H,18,19,21)
InChIKeyWEZUBQSMEJJAHA-UHFFFAOYSA-N
XLogP4.93
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.16
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 5332196
2,4-dibromo-6-[(Z)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135873537
3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile
CID 135530835
2-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-4,6-dibromophenol
CID 135684918
2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol
CID 135446667
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 52687743
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 135821997
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 3601514) is 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is CCc1cc2c(NN=Cc3cc(Br)cc(Br)c3O)ncnc2s1.
What is the InChIKey of 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is WEZUBQSMEJJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N4OS/c1-2-10-5-11-14(18-7-19-15(11)23-10)21-20-6-8-3-9(16)4-12(17)13(8)22/h3-7,22H,2H2,1H3,(H,18,19,21).
What are the key properties of 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 456.16 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3601514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).