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

C12H18N4O2 — CID 106473502

IUPAC[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCOCC2)nc2c1COCC2
InChIInChI=1S/C12H18N4O2/c13-16-12-9-7-18-6-3-10(9)14-11(15-12)8-1-4-17-5-2-8/h8H,1-7,13H2,(H,14,15,16)
InChIKeyOLJDERDMKWWBGZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.73
Rot. Bonds2

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

[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 106473502) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is [2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
PubChem CID106473502
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCOCC2)nc2c1COCC2
InChIInChI=1S/C12H18N4O2/c13-16-12-9-7-18-6-3-10(9)14-11(15-12)8-1-4-17-5-2-8/h8H,1-7,13H2,(H,14,15,16)
InChIKeyOLJDERDMKWWBGZ-UHFFFAOYSA-N
XLogP0.73
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (CID 106473502) is [2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(C2CCOCC2)nc2c1COCC2.
What is the InChIKey of [2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is OLJDERDMKWWBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-16-12-9-7-18-6-3-10(9)14-11(15-12)8-1-4-17-5-2-8/h8H,1-7,13H2,(H,14,15,16).
What are the key properties of [2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 250.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106473502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).