6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol

C14H13FN4O2S — CID 68895906

IUPAC6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol
SMILESCCOc1cc(F)ccc1-c1sc2c(NN)ncnc2c1O
InChIInChI=1S/C14H13FN4O2S/c1-2-21-9-5-7(15)3-4-8(9)12-11(20)10-13(22-12)14(19-16)18-6-17-10/h3-6,20H,2,16H2,1H3,(H,17,18,19)
InChIKeyJNGYZRVRLNVOSH-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.89
Rot. Bonds4

About 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol

6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol (PubChem CID 68895906) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol
PubChem CID68895906
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Name6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol
SMILESCCOc1cc(F)ccc1-c1sc2c(NN)ncnc2c1O
InChIInChI=1S/C14H13FN4O2S/c1-2-21-9-5-7(15)3-4-8(9)12-11(20)10-13(22-12)14(19-16)18-6-17-10/h3-6,20H,2,16H2,1H3,(H,17,18,19)
InChIKeyJNGYZRVRLNVOSH-UHFFFAOYSA-N
XLogP2.89
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'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 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol?
The IUPAC name of 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol (CID 68895906) is 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol.
What is the SMILES notation for 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol?
The canonical SMILES for 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol is CCOc1cc(F)ccc1-c1sc2c(NN)ncnc2c1O.
What is the InChIKey of 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol?
The InChIKey is JNGYZRVRLNVOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-2-21-9-5-7(15)3-4-8(9)12-11(20)10-13(22-12)14(19-16)18-6-17-10/h3-6,20H,2,16H2,1H3,(H,17,18,19).
What are the key properties of 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol?
6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol has a molecular weight of 320.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol is sourced from PubChem (CID 68895906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).