[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C13H18N4O2S — CID 63558704

IUPAC[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1sc2nc(COC3CCOC3)nc(NN)c2c1C
InChIInChI=1S/C13H18N4O2S/c1-7-8(2)20-13-11(7)12(17-14)15-10(16-13)6-19-9-3-4-18-5-9/h9H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyBSBLZFCXIWVNOU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.90
Rot. Bonds4

About [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 63558704) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID63558704
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1sc2nc(COC3CCOC3)nc(NN)c2c1C
InChIInChI=1S/C13H18N4O2S/c1-7-8(2)20-13-11(7)12(17-14)15-10(16-13)6-19-9-3-4-18-5-9/h9H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyBSBLZFCXIWVNOU-UHFFFAOYSA-N
XLogP1.90
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.90
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 [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 63558704) is [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is Cc1sc2nc(COC3CCOC3)nc(NN)c2c1C.
What is the InChIKey of [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is BSBLZFCXIWVNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-7-8(2)20-13-11(7)12(17-14)15-10(16-13)6-19-9-3-4-18-5-9/h9H,3-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 294.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63558704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).