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

C14H16N4O — CID 62716893

IUPAC[2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COc2ccccc2)nc2c1CCC2
InChIInChI=1S/C14H16N4O/c15-18-14-11-7-4-8-12(11)16-13(17-14)9-19-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,15H2,(H,16,17,18)
InChIKeyUBFLXJZHJIURTN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.83
Rot. Bonds4

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

[2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 62716893) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID62716893
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COc2ccccc2)nc2c1CCC2
InChIInChI=1S/C14H16N4O/c15-18-14-11-7-4-8-12(11)16-13(17-14)9-19-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,15H2,(H,16,17,18)
InChIKeyUBFLXJZHJIURTN-UHFFFAOYSA-N
XLogP1.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 62716893) is [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(COc2ccccc2)nc2c1CCC2.
What is the InChIKey of [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is UBFLXJZHJIURTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-18-14-11-7-4-8-12(11)16-13(17-14)9-19-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,15H2,(H,16,17,18).
What are the key properties of [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 256.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62716893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).