[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

C10H9BrN4S2 — CID 83200526

IUPAC[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Br)s2)nc2c1CSC2
InChIInChI=1S/C10H9BrN4S2/c11-8-2-1-7(17-8)10-13-6-4-16-3-5(6)9(14-10)15-12/h1-2H,3-4,12H2,(H,13,14,15)
InChIKeyRWKVLDJROCDAHE-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.00
Rot. Bonds2

About [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 83200526) has the molecular formula C10H9BrN4S2 and a molecular weight of 329.25 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID83200526
Molecular FormulaC10H9BrN4S2
Molecular Weight329.25 g/mol
Exact Mass327.95
IUPAC Name[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Br)s2)nc2c1CSC2
InChIInChI=1S/C10H9BrN4S2/c11-8-2-1-7(17-8)10-13-6-4-16-3-5(6)9(14-10)15-12/h1-2H,3-4,12H2,(H,13,14,15)
InChIKeyRWKVLDJROCDAHE-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.00
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-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 83200526) is [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc(Br)s2)nc2c1CSC2.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is RWKVLDJROCDAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4S2/c11-8-2-1-7(17-8)10-13-6-4-16-3-5(6)9(14-10)15-12/h1-2H,3-4,12H2,(H,13,14,15).
What are the key properties of [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 329.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83200526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).