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

C13H13FN4 — CID 62251407

IUPAC[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C13H13FN4/c14-9-6-4-8(5-7-9)12-16-11-3-1-2-10(11)13(17-12)18-15/h4-7H,1-3,15H2,(H,16,17,18)
InChIKeyLPXMNBIQQGNBON-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.06
Rot. Bonds2

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

[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 62251407) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID62251407
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C13H13FN4/c14-9-6-4-8(5-7-9)12-16-11-3-1-2-10(11)13(17-12)18-15/h4-7H,1-3,15H2,(H,16,17,18)
InChIKeyLPXMNBIQQGNBON-UHFFFAOYSA-N
XLogP2.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 62251407) is [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc(F)cc2)nc2c1CCC2.
What is the InChIKey of [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is LPXMNBIQQGNBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c14-9-6-4-8(5-7-9)12-16-11-3-1-2-10(11)13(17-12)18-15/h4-7H,1-3,15H2,(H,16,17,18).
What are the key properties of [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 244.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).