[3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol

C13H12N4O2S — CID 112750775

IUPAC[3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol
SMILESNNc1nc(Oc2cccc(CO)c2)c2sccc2n1
InChIInChI=1S/C13H12N4O2S/c14-17-13-15-10-4-5-20-11(10)12(16-13)19-9-3-1-2-8(6-9)7-18/h1-6,18H,7,14H2,(H,15,16,17)
InChIKeyVVHHYOCBRWVWPA-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.26
Rot. Bonds4

About [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol

[3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 112750775) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol
PubChem CID112750775
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name[3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol
SMILESNNc1nc(Oc2cccc(CO)c2)c2sccc2n1
InChIInChI=1S/C13H12N4O2S/c14-17-13-15-10-4-5-20-11(10)12(16-13)19-9-3-1-2-8(6-9)7-18/h1-6,18H,7,14H2,(H,15,16,17)
InChIKeyVVHHYOCBRWVWPA-UHFFFAOYSA-N
XLogP2.26
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol (CID 112750775) is [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol is NNc1nc(Oc2cccc(CO)c2)c2sccc2n1.
What is the InChIKey of [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is VVHHYOCBRWVWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-17-13-15-10-4-5-20-11(10)12(16-13)19-9-3-1-2-8(6-9)7-18/h1-6,18H,7,14H2,(H,15,16,17).
What are the key properties of [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol?
[3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 288.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 112750775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).