[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

C14H12BrFN4S — CID 114887695

IUPAC[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(-c3c(F)cccc3Br)nc2s1
InChIInChI=1S/C14H12BrFN4S/c1-2-7-6-8-12(20-17)18-13(19-14(8)21-7)11-9(15)4-3-5-10(11)16/h3-6H,2,17H2,1H3,(H,18,19,20)
InChIKeyBIVWCOMOZKGBOU-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.11
Rot. Bonds3

About [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 114887695) has the molecular formula C14H12BrFN4S and a molecular weight of 367.25 g/mol. Its IUPAC name is [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID114887695
Molecular FormulaC14H12BrFN4S
Molecular Weight367.25 g/mol
Exact Mass366.00
IUPAC Name[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(-c3c(F)cccc3Br)nc2s1
InChIInChI=1S/C14H12BrFN4S/c1-2-7-6-8-12(20-17)18-13(19-14(8)21-7)11-9(15)4-3-5-10(11)16/h3-6H,2,17H2,1H3,(H,18,19,20)
InChIKeyBIVWCOMOZKGBOU-UHFFFAOYSA-N
XLogP4.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
[6-ethyl-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614035
[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 106849598
[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614031
[6-ethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65198254
2-(2,6-difluorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889445
2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114887684
6-ethyl-N-methyl-2-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 63616457
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614303
N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615787
[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615804

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 114887695) is [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is CCc1cc2c(NN)nc(-c3c(F)cccc3Br)nc2s1.
What is the InChIKey of [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is BIVWCOMOZKGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4S/c1-2-7-6-8-12(20-17)18-13(19-14(8)21-7)11-9(15)4-3-5-10(11)16/h3-6H,2,17H2,1H3,(H,18,19,20).
What are the key properties of [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 367.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114887695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).