4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine

C13H20BrN3 — CID 80670776

IUPAC4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CCCCC2CCBr)ncn1
InChIInChI=1S/C13H20BrN3/c1-2-11-9-13(16-10-15-11)17-8-4-3-5-12(17)6-7-14/h9-10,12H,2-8H2,1H3
InChIKeyRZHPCWGDYJRVGF-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.18
Rot. Bonds4

About 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine

4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine (PubChem CID 80670776) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine.

Molecular Properties

Compound Name4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
PubChem CID80670776
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CCCCC2CCBr)ncn1
InChIInChI=1S/C13H20BrN3/c1-2-11-9-13(16-10-15-11)17-8-4-3-5-12(17)6-7-14/h9-10,12H,2-8H2,1H3
InChIKeyRZHPCWGDYJRVGF-UHFFFAOYSA-N
XLogP3.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63256097
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 55091054
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine
CID 138019714
2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62587059
2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine
CID 130534011

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine?
The IUPAC name of 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine (CID 80670776) is 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine.
What is the SMILES notation for 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine?
The canonical SMILES for 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine is CCc1cc(N2CCCCC2CCBr)ncn1.
What is the InChIKey of 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine?
The InChIKey is RZHPCWGDYJRVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-2-11-9-13(16-10-15-11)17-8-4-3-5-12(17)6-7-14/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine?
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine has a molecular weight of 298.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine is sourced from PubChem (CID 80670776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).