[2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

C14H12BrFN4S — CID 107281495

IUPAC[2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1sc2nc(-c3ccc(F)cc3Br)nc(NN)c2c1C
InChIInChI=1S/C14H12BrFN4S/c1-6-7(2)21-14-11(6)13(20-17)18-12(19-14)9-4-3-8(16)5-10(9)15/h3-5H,17H2,1-2H3,(H,18,19,20)
InChIKeyXVNQZQKLNORKSY-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.16
Rot. Bonds2

About [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 107281495) has the molecular formula C14H12BrFN4S and a molecular weight of 367.25 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID107281495
Molecular FormulaC14H12BrFN4S
Molecular Weight367.25 g/mol
Exact Mass366.00
IUPAC Name[2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1sc2nc(-c3ccc(F)cc3Br)nc(NN)c2c1C
InChIInChI=1S/C14H12BrFN4S/c1-6-7(2)21-14-11(6)13(20-17)18-12(19-14)9-4-3-8(16)5-10(9)15/h3-5H,17H2,1-2H3,(H,18,19,20)
InChIKeyXVNQZQKLNORKSY-UHFFFAOYSA-N
XLogP4.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.16
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'}

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Related Compounds

[2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62946048
2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107281374
2-(2-fluorophenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62189532
2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 62944582
[5,6-dimethyl-2-(4-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63839123
[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 107281498
[2-(furan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62699844
[2-(4-fluoro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 81278265
2-(2-bromo-4-fluorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107281484
N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 16553303
[2-(2-bromo-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107281505
2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 79713337

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 107281495) is [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is Cc1sc2nc(-c3ccc(F)cc3Br)nc(NN)c2c1C.
What is the InChIKey of [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is XVNQZQKLNORKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4S/c1-6-7(2)21-14-11(6)13(20-17)18-12(19-14)9-4-3-8(16)5-10(9)15/h3-5H,17H2,1-2H3,(H,18,19,20).
What are the key properties of [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 367.25 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107281495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).