[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine

C14H13BrN4OS — CID 63216895

IUPAC[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1cc(Br)ccc1OCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C14H13BrN4OS/c1-8-6-9(15)2-3-11(8)20-7-12-17-13(19-16)10-4-5-21-14(10)18-12/h2-6H,7,16H2,1H3,(H,17,18,19)
InChIKeyQSBHXUOUMBNOAG-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.63
Rot. Bonds4

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

[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 63216895) has the molecular formula C14H13BrN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is [2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID63216895
Molecular FormulaC14H13BrN4OS
Molecular Weight365.26 g/mol
Exact Mass364.00
IUPAC Name[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1cc(Br)ccc1OCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C14H13BrN4OS/c1-8-6-9(15)2-3-11(8)20-7-12-17-13(19-16)10-4-5-21-14(10)18-12/h2-6H,7,16H2,1H3,(H,17,18,19)
InChIKeyQSBHXUOUMBNOAG-UHFFFAOYSA-N
XLogP3.63
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.63
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-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 63216895) is [2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is Cc1cc(Br)ccc1OCc1nc(NN)c2ccsc2n1.
What is the InChIKey of [2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is QSBHXUOUMBNOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4OS/c1-8-6-9(15)2-3-11(8)20-7-12-17-13(19-16)10-4-5-21-14(10)18-12/h2-6H,7,16H2,1H3,(H,17,18,19).
What are the key properties of [2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 365.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63216895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).