[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine

C10H17BrN6 — CID 80928369

IUPAC[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCN1CCN(c2nc(NN)ncc2Br)CC1
InChIInChI=1S/C10H17BrN6/c1-2-16-3-5-17(6-4-16)9-8(11)7-13-10(14-9)15-12/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyGRCBLNDEQYJMNM-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.67
Rot. Bonds3

About [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine

[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80928369) has the molecular formula C10H17BrN6 and a molecular weight of 301.19 g/mol. Its IUPAC name is [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80928369
Molecular FormulaC10H17BrN6
Molecular Weight301.19 g/mol
Exact Mass300.07
IUPAC Name[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCN1CCN(c2nc(NN)ncc2Br)CC1
InChIInChI=1S/C10H17BrN6/c1-2-16-3-5-17(6-4-16)9-8(11)7-13-10(14-9)15-12/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyGRCBLNDEQYJMNM-UHFFFAOYSA-N
XLogP0.67
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.67
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 [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine (CID 80928369) is [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine is CCN1CCN(c2nc(NN)ncc2Br)CC1.
What is the InChIKey of [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is GRCBLNDEQYJMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN6/c1-2-16-3-5-17(6-4-16)9-8(11)7-13-10(14-9)15-12/h7H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 301.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80928369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).