[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C13H12BrFN4 — CID 107281498

IUPAC[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)cc2Br)nc2c1CCC2
InChIInChI=1S/C13H12BrFN4/c14-10-6-7(15)4-5-8(10)12-17-11-3-1-2-9(11)13(18-12)19-16/h4-6H,1-3,16H2,(H,17,18,19)
InChIKeyXXPUTMZIHGFLHN-UHFFFAOYSA-N
MW323.17 g/mol
LogP2.82
Rot. Bonds2

About [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 107281498) has the molecular formula C13H12BrFN4 and a molecular weight of 323.17 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID107281498
Molecular FormulaC13H12BrFN4
Molecular Weight323.17 g/mol
Exact Mass322.02
IUPAC Name[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)cc2Br)nc2c1CCC2
InChIInChI=1S/C13H12BrFN4/c14-10-6-7(15)4-5-8(10)12-17-11-3-1-2-9(11)13(18-12)19-16/h4-6H,1-3,16H2,(H,17,18,19)
InChIKeyXXPUTMZIHGFLHN-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 82801875
N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94672727
[2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62251116
[2-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62250852
[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114077274
[2-(3-chloro-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63088195
[2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 115568369
[2-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62252758
[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 106889323
[2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63482428
[2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104790753

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 107281498) is [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc(F)cc2Br)nc2c1CCC2.
What is the InChIKey of [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is XXPUTMZIHGFLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4/c14-10-6-7(15)4-5-8(10)12-17-11-3-1-2-9(11)13(18-12)19-16/h4-6H,1-3,16H2,(H,17,18,19).
What are the key properties of [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 323.17 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107281498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).