[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

C14H22N4OS — CID 116730245

IUPAC[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCOC(c1nc(NN)c2cc(CC)sc2n1)C(C)C
InChIInChI=1S/C14H22N4OS/c1-5-9-7-10-12(18-15)16-13(17-14(10)20-9)11(8(3)4)19-6-2/h7-8,11H,5-6,15H2,1-4H3,(H,16,17,18)
InChIKeyXCNPSRKBQZDNAX-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.27
Rot. Bonds6

About [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 116730245) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID116730245
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCOC(c1nc(NN)c2cc(CC)sc2n1)C(C)C
InChIInChI=1S/C14H22N4OS/c1-5-9-7-10-12(18-15)16-13(17-14(10)20-9)11(8(3)4)19-6-2/h7-8,11H,5-6,15H2,1-4H3,(H,16,17,18)
InChIKeyXCNPSRKBQZDNAX-UHFFFAOYSA-N
XLogP3.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.27
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-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 116730245) is [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is CCOC(c1nc(NN)c2cc(CC)sc2n1)C(C)C.
What is the InChIKey of [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is XCNPSRKBQZDNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-5-9-7-10-12(18-15)16-13(17-14(10)20-9)11(8(3)4)19-6-2/h7-8,11H,5-6,15H2,1-4H3,(H,16,17,18).
What are the key properties of [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 294.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116730245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).