[6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine

C14H21N5OS — CID 103332405

IUPAC[6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCc1cc2c(N3CCOCC3CC)nc(NN)nc2s1
InChIInChI=1S/C14H21N5OS/c1-3-9-8-20-6-5-19(9)12-11-7-10(4-2)21-13(11)17-14(16-12)18-15/h7,9H,3-6,8,15H2,1-2H3,(H,16,17,18)
InChIKeySMCFXTBTMFXJIX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.15
Rot. Bonds4

About [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine

[6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103332405) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103332405
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name[6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCc1cc2c(N3CCOCC3CC)nc(NN)nc2s1
InChIInChI=1S/C14H21N5OS/c1-3-9-8-20-6-5-19(9)12-11-7-10(4-2)21-13(11)17-14(16-12)18-15/h7,9H,3-6,8,15H2,1-2H3,(H,16,17,18)
InChIKeySMCFXTBTMFXJIX-UHFFFAOYSA-N
XLogP2.15
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.15
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 [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103332405) is [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine is CCc1cc2c(N3CCOCC3CC)nc(NN)nc2s1.
What is the InChIKey of [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is SMCFXTBTMFXJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-9-8-20-6-5-19(9)12-11-7-10(4-2)21-13(11)17-14(16-12)18-15/h7,9H,3-6,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 307.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103332405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).