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

C11H16N4S2 — CID 107766413

IUPAC[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCC(C)CCSc1nc(NN)nc2sccc12
InChIInChI=1S/C11H16N4S2/c1-7(2)3-5-16-9-8-4-6-17-10(8)14-11(13-9)15-12/h4,6-7H,3,5,12H2,1-2H3,(H,13,14,15)
InChIKeyOAXAOCQINYIEBH-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.12
Rot. Bonds5

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

[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 107766413) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID107766413
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCC(C)CCSc1nc(NN)nc2sccc12
InChIInChI=1S/C11H16N4S2/c1-7(2)3-5-16-9-8-4-6-17-10(8)14-11(13-9)15-12/h4,6-7H,3,5,12H2,1-2H3,(H,13,14,15)
InChIKeyOAXAOCQINYIEBH-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.12
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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Related Compounds

(4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336570
2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333804
tert-butyl 2-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 103336695
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
[4-(2-methylfuran-3-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107785418
[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336615
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
[4-(3-methylbutan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336370
4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103335254
[4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336586
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 107766413) is [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine is CC(C)CCSc1nc(NN)nc2sccc12.
What is the InChIKey of [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is OAXAOCQINYIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-7(2)3-5-16-9-8-4-6-17-10(8)14-11(13-9)15-12/h4,6-7H,3,5,12H2,1-2H3,(H,13,14,15).
What are the key properties of [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 268.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 107766413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).