[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

C11H11BrN4OS — CID 106473597

IUPAC[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Br)s2)nc2c1COCC2
InChIInChI=1S/C11H11BrN4OS/c12-9-2-1-8(18-9)11-14-7-3-4-17-5-6(7)10(15-11)16-13/h1-2H,3-5,13H2,(H,14,15,16)
InChIKeyYVTZJWLVUIKOLS-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.33
Rot. Bonds2

About [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 106473597) has the molecular formula C11H11BrN4OS and a molecular weight of 327.21 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
PubChem CID106473597
Molecular FormulaC11H11BrN4OS
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Br)s2)nc2c1COCC2
InChIInChI=1S/C11H11BrN4OS/c12-9-2-1-8(18-9)11-14-7-3-4-17-5-6(7)10(15-11)16-13/h1-2H,3-5,13H2,(H,14,15,16)
InChIKeyYVTZJWLVUIKOLS-UHFFFAOYSA-N
XLogP2.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.33
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-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (CID 106473597) is [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc(Br)s2)nc2c1COCC2.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is YVTZJWLVUIKOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS/c12-9-2-1-8(18-9)11-14-7-3-4-17-5-6(7)10(15-11)16-13/h1-2H,3-5,13H2,(H,14,15,16).
What are the key properties of [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 327.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106473597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).