[2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

C12H16F2N4O — CID 114216463

IUPAC[2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCC(F)(F)C2)nc2c1COCC2
InChIInChI=1S/C12H16F2N4O/c13-12(14)3-1-7(5-12)10-16-9-2-4-19-6-8(9)11(17-10)18-15/h7H,1-6,15H2,(H,16,17,18)
InChIKeyQDVFVJALDPUZLJ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.74
Rot. Bonds2

About [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

[2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 114216463) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
PubChem CID114216463
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name[2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCC(F)(F)C2)nc2c1COCC2
InChIInChI=1S/C12H16F2N4O/c13-12(14)3-1-7(5-12)10-16-9-2-4-19-6-8(9)11(17-10)18-15/h7H,1-6,15H2,(H,16,17,18)
InChIKeyQDVFVJALDPUZLJ-UHFFFAOYSA-N
XLogP1.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.74
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-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-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

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (CID 114216463) is [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(C2CCC(F)(F)C2)nc2c1COCC2.
What is the InChIKey of [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is QDVFVJALDPUZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c13-12(14)3-1-7(5-12)10-16-9-2-4-19-6-8(9)11(17-10)18-15/h7H,1-6,15H2,(H,16,17,18).
What are the key properties of [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
[2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 270.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorocyclopentyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114216463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).