[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C10H10N6S — CID 62244451

IUPAC[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cn2ccnc2)nc2sccc12
InChIInChI=1S/C10H10N6S/c11-15-9-7-1-4-17-10(7)14-8(13-9)5-16-3-2-12-6-16/h1-4,6H,5,11H2,(H,13,14,15)
InChIKeyCMBQQZSYDWRKEZ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.22
Rot. Bonds3

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

[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62244451) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62244451
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cn2ccnc2)nc2sccc12
InChIInChI=1S/C10H10N6S/c11-15-9-7-1-4-17-10(7)14-8(13-9)5-16-3-2-12-6-16/h1-4,6H,5,11H2,(H,13,14,15)
InChIKeyCMBQQZSYDWRKEZ-UHFFFAOYSA-N
XLogP1.22
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.22
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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Related Compounds

N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 62245015
[2-[(3,5-diethylpyrazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82699155
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one
CID 114217439
[2-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-one
CID 62247064
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-3-methylimidazolidin-2-one
CID 55078320
[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79965201
[2-(2,3-dihydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244233
[2-[(3,4-dimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63635107
[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114596650

Frequently Asked Questions

What is the IUPAC name of [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 62244451) is [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(Cn2ccnc2)nc2sccc12.
What is the InChIKey of [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is CMBQQZSYDWRKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c11-15-9-7-1-4-17-10(7)14-8(13-9)5-16-3-2-12-6-16/h1-4,6H,5,11H2,(H,13,14,15).
What are the key properties of [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 246.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62244451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).