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

C13H18N4S — CID 62252332

IUPAC[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCC1CCCC(c2nc(NN)c3ccsc3n2)C1
InChIInChI=1S/C13H18N4S/c1-8-3-2-4-9(7-8)11-15-12(17-14)10-5-6-18-13(10)16-11/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16,17)
InChIKeyCLSBUGIBAQASHV-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.27
Rot. Bonds2

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

[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62252332) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62252332
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCC1CCCC(c2nc(NN)c3ccsc3n2)C1
InChIInChI=1S/C13H18N4S/c1-8-3-2-4-9(7-8)11-15-12(17-14)10-5-6-18-13(10)16-11/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16,17)
InChIKeyCLSBUGIBAQASHV-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 62252332) is [2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is CC1CCCC(c2nc(NN)c3ccsc3n2)C1.
What is the InChIKey of [2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is CLSBUGIBAQASHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-3-2-4-9(7-8)11-15-12(17-14)10-5-6-18-13(10)16-11/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 262.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).