4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide

C14H23BrN6O — CID 109459644

IUPAC4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide
SMILESCC/N=C(\NCC)N1CCN(c2ncc(Br)c(OC)n2)CC1
InChIInChI=1S/C14H23BrN6O/c1-4-16-13(17-5-2)20-6-8-21(9-7-20)14-18-10-11(15)12(19-14)22-3/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyVZVZBKKGRYPSFY-UHFFFAOYSA-N
MW371.28 g/mol
LogP1.36
Rot. Bonds4

About 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide

4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide (PubChem CID 109459644) has the molecular formula C14H23BrN6O and a molecular weight of 371.28 g/mol. Its IUPAC name is 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide
PubChem CID109459644
Molecular FormulaC14H23BrN6O
Molecular Weight371.28 g/mol
Exact Mass370.11
IUPAC Name4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide
SMILESCC/N=C(\NCC)N1CCN(c2ncc(Br)c(OC)n2)CC1
InChIInChI=1S/C14H23BrN6O/c1-4-16-13(17-5-2)20-6-8-21(9-7-20)14-18-10-11(15)12(19-14)22-3/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyVZVZBKKGRYPSFY-UHFFFAOYSA-N
XLogP1.36
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-4-methoxypyrimidine
CID 12270081
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
4-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
5-Bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine
CID 16414240
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
1-[4-(5-Bromo-4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 72107545
1-(4-Methoxypyrimidin-2-yl)-1,4-diazepane
CID 16777398
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
2-Amino-5-bromo-4-methoxypyrimidine
CID 45036937
5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 164630566
4-(5-bromo-4-methoxypyrimidin-2-yl)-N'-ethylpiperazine-1-carboximidamide
CID 86781019
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide?
The IUPAC name of 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide (CID 109459644) is 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide is CC/N=C(\NCC)N1CCN(c2ncc(Br)c(OC)n2)CC1.
What is the InChIKey of 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide?
The InChIKey is VZVZBKKGRYPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN6O/c1-4-16-13(17-5-2)20-6-8-21(9-7-20)14-18-10-11(15)12(19-14)22-3/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide?
4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide has a molecular weight of 371.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methoxypyrimidin-2-yl)-N,N'-diethylpiperazine-1-carboximidamide is sourced from PubChem (CID 109459644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).