(Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine

C11H18BrN5 — CID 88907875

IUPAC(Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine
SMILESC/C=N\N1C(N2CCNCC2)=NC=C(Br)C1C
InChIInChI=1S/C11H18BrN5/c1-3-15-17-9(2)10(12)8-14-11(17)16-6-4-13-5-7-16/h3,8-9,13H,4-7H2,1-2H3/b15-3-
InChIKeyPNQCQJIIDLXXEB-CQPUUCJISA-N
MW300.20 g/mol
LogP1.19
Rot. Bonds1

About (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine

(Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine (PubChem CID 88907875) has the molecular formula C11H18BrN5 and a molecular weight of 300.20 g/mol. Its IUPAC name is (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine.

Molecular Properties

Compound Name(Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine
PubChem CID88907875
Molecular FormulaC11H18BrN5
Molecular Weight300.20 g/mol
Exact Mass299.07
IUPAC Name(Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine
SMILESC/C=N\N1C(N2CCNCC2)=NC=C(Br)C1C
InChIInChI=1S/C11H18BrN5/c1-3-15-17-9(2)10(12)8-14-11(17)16-6-4-13-5-7-16/h3,8-9,13H,4-7H2,1-2H3/b15-3-
InChIKeyPNQCQJIIDLXXEB-CQPUUCJISA-N
XLogP1.19
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine?
The IUPAC name of (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine (CID 88907875) is (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine.
What is the SMILES notation for (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine?
The canonical SMILES for (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine is C/C=N\N1C(N2CCNCC2)=NC=C(Br)C1C.
What is the InChIKey of (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine?
The InChIKey is PNQCQJIIDLXXEB-CQPUUCJISA-N. The full InChI is InChI=1S/C11H18BrN5/c1-3-15-17-9(2)10(12)8-14-11(17)16-6-4-13-5-7-16/h3,8-9,13H,4-7H2,1-2H3/b15-3-.
What are the key properties of (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine?
(Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine has a molecular weight of 300.20 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-bromo-4-methyl-2-piperazin-1-yl-4H-pyrimidin-3-yl)ethanimine is sourced from PubChem (CID 88907875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).