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

C15H23N5S — CID 65281811

IUPAC[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCC1(C)CCCN(Cc2nc(NN)c3ccsc3n2)CC1
InChIInChI=1S/C15H23N5S/c1-15(2)5-3-7-20(8-6-15)10-12-17-13(19-16)11-4-9-21-14(11)18-12/h4,9H,3,5-8,10,16H2,1-2H3,(H,17,18,19)
InChIKeyHFYVXAFNCAYJFE-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.99
Rot. Bonds3

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

[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 65281811) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is [2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID65281811
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCC1(C)CCCN(Cc2nc(NN)c3ccsc3n2)CC1
InChIInChI=1S/C15H23N5S/c1-15(2)5-3-7-20(8-6-15)10-12-17-13(19-16)11-4-9-21-14(11)18-12/h4,9H,3,5-8,10,16H2,1-2H3,(H,17,18,19)
InChIKeyHFYVXAFNCAYJFE-UHFFFAOYSA-N
XLogP2.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.99
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-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 65281811) is [2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is CC1(C)CCCN(Cc2nc(NN)c3ccsc3n2)CC1.
What is the InChIKey of [2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is HFYVXAFNCAYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-15(2)5-3-7-20(8-6-15)10-12-17-13(19-16)11-4-9-21-14(11)18-12/h4,9H,3,5-8,10,16H2,1-2H3,(H,17,18,19).
What are the key properties of [2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 305.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65281811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).