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

C13H14N4S2 — CID 83200763

IUPAC[2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CSc2ccccc2)nc2c1CSC2
InChIInChI=1S/C13H14N4S2/c14-17-13-10-6-18-7-11(10)15-12(16-13)8-19-9-4-2-1-3-5-9/h1-5H,6-8,14H2,(H,15,16,17)
InChIKeySXOMFUJBVXMQMZ-UHFFFAOYSA-N
MW290.42 g/mol
LogP2.80
Rot. Bonds4

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

[2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 83200763) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is [2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID83200763
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name[2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CSc2ccccc2)nc2c1CSC2
InChIInChI=1S/C13H14N4S2/c14-17-13-10-6-18-7-11(10)15-12(16-13)8-19-9-4-2-1-3-5-9/h1-5H,6-8,14H2,(H,15,16,17)
InChIKeySXOMFUJBVXMQMZ-UHFFFAOYSA-N
XLogP2.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.80
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-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 83200763) is [2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is NNc1nc(CSc2ccccc2)nc2c1CSC2.
What is the InChIKey of [2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is SXOMFUJBVXMQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c14-17-13-10-6-18-7-11(10)15-12(16-13)8-19-9-4-2-1-3-5-9/h1-5H,6-8,14H2,(H,15,16,17).
What are the key properties of [2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 290.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylsulfanylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83200763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).