[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine

C11H19ClN6 — CID 114542250

IUPAC[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCC1CN(c2nc(NN)ncc2Cl)CC(C)N1C
InChIInChI=1S/C11H19ClN6/c1-7-5-18(6-8(2)17(7)3)10-9(12)4-14-11(15-10)16-13/h4,7-8H,5-6,13H2,1-3H3,(H,14,15,16)
InChIKeyHWGQYJWKXIHPIW-UHFFFAOYSA-N
MW270.77 g/mol
LogP0.94
Rot. Bonds2

About [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine

[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 114542250) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID114542250
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC Name[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCC1CN(c2nc(NN)ncc2Cl)CC(C)N1C
InChIInChI=1S/C11H19ClN6/c1-7-5-18(6-8(2)17(7)3)10-9(12)4-14-11(15-10)16-13/h4,7-8H,5-6,13H2,1-3H3,(H,14,15,16)
InChIKeyHWGQYJWKXIHPIW-UHFFFAOYSA-N
XLogP0.94
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 50.94
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-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine (CID 114542250) is [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine is CC1CN(c2nc(NN)ncc2Cl)CC(C)N1C.
What is the InChIKey of [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is HWGQYJWKXIHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-7-5-18(6-8(2)17(7)3)10-9(12)4-14-11(15-10)16-13/h4,7-8H,5-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 270.77 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114542250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).