[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C12H16N4O2S — CID 62246364

IUPAC[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COCC2CCOC2)nc2sccc12
InChIInChI=1S/C12H16N4O2S/c13-16-11-9-2-4-19-12(9)15-10(14-11)7-18-6-8-1-3-17-5-8/h2,4,8H,1,3,5-7,13H2,(H,14,15,16)
InChIKeyXWUBPKPNIBKVCI-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.53
Rot. Bonds5

About [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62246364) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62246364
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COCC2CCOC2)nc2sccc12
InChIInChI=1S/C12H16N4O2S/c13-16-11-9-2-4-19-12(9)15-10(14-11)7-18-6-8-1-3-17-5-8/h2,4,8H,1,3,5-7,13H2,(H,14,15,16)
InChIKeyXWUBPKPNIBKVCI-UHFFFAOYSA-N
XLogP1.53
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
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 [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 62246364) is [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(COCC2CCOC2)nc2sccc12.
What is the InChIKey of [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is XWUBPKPNIBKVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-16-11-9-2-4-19-12(9)15-10(14-11)7-18-6-8-1-3-17-5-8/h2,4,8H,1,3,5-7,13H2,(H,14,15,16).
What are the key properties of [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 280.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62246364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).