[2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine

C13H20N6S — CID 63635107

IUPAC[2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCC1CN(Cc2nc(NN)c3ccsc3n2)CCN1C
InChIInChI=1S/C13H20N6S/c1-9-7-19(5-4-18(9)2)8-11-15-12(17-14)10-3-6-20-13(10)16-11/h3,6,9H,4-5,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyISMWYTOYQASFQW-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.11
Rot. Bonds3

About [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 63635107) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID63635107
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name[2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCC1CN(Cc2nc(NN)c3ccsc3n2)CCN1C
InChIInChI=1S/C13H20N6S/c1-9-7-19(5-4-18(9)2)8-11-15-12(17-14)10-3-6-20-13(10)16-11/h3,6,9H,4-5,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyISMWYTOYQASFQW-UHFFFAOYSA-N
XLogP1.11
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.11
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 [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 63635107) is [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is CC1CN(Cc2nc(NN)c3ccsc3n2)CCN1C.
What is the InChIKey of [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is ISMWYTOYQASFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-9-7-19(5-4-18(9)2)8-11-15-12(17-14)10-3-6-20-13(10)16-11/h3,6,9H,4-5,7-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 292.41 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63635107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).