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

C12H11ClN4S — CID 83201592

IUPAC[2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Cl)cc2)nc2c1CSC2
InChIInChI=1S/C12H11ClN4S/c13-8-3-1-7(2-4-8)11-15-10-6-18-5-9(10)12(16-11)17-14/h1-4H,5-6,14H2,(H,15,16,17)
InChIKeyALHQCKKPJJMWRZ-UHFFFAOYSA-N
MW278.77 g/mol
LogP2.83
Rot. Bonds2

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

[2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 83201592) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID83201592
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name[2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Cl)cc2)nc2c1CSC2
InChIInChI=1S/C12H11ClN4S/c13-8-3-1-7(2-4-8)11-15-10-6-18-5-9(10)12(16-11)17-14/h1-4H,5-6,14H2,(H,15,16,17)
InChIKeyALHQCKKPJJMWRZ-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 52.83
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-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 83201592) is [2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc(Cl)cc2)nc2c1CSC2.
What is the InChIKey of [2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is ALHQCKKPJJMWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c13-8-3-1-7(2-4-8)11-15-10-6-18-5-9(10)12(16-11)17-14/h1-4H,5-6,14H2,(H,15,16,17).
What are the key properties of [2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 278.77 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83201592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).