4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine

C13H20ClN3 — CID 55184425

IUPAC4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCCCC2CCCl)nc(C)n1
InChIInChI=1S/C13H20ClN3/c1-10-9-13(16-11(2)15-10)17-8-4-3-5-12(17)6-7-14/h9,12H,3-8H2,1-2H3
InChIKeyIALFEVVOYOVATN-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.08
Rot. Bonds3

About 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine

4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 55184425) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
PubChem CID55184425
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCCCC2CCCl)nc(C)n1
InChIInChI=1S/C13H20ClN3/c1-10-9-13(16-11(2)15-10)17-8-4-3-5-12(17)6-7-14/h9,12H,3-8H2,1-2H3
InChIKeyIALFEVVOYOVATN-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63767587
N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55218834
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
4-[2-(chloromethyl)piperidin-1-yl]-6-methoxy-2-methylpyrimidine
CID 66331673
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
N-[[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62592513
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
2-[2-(2-chloroethyl)piperidin-1-yl]-4-methyl-6-propoxypyrimidine
CID 115973842
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 80794563
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine (CID 55184425) is 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine is Cc1cc(N2CCCCC2CCCl)nc(C)n1.
What is the InChIKey of 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is IALFEVVOYOVATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10-9-13(16-11(2)15-10)17-8-4-3-5-12(17)6-7-14/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine?
4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 253.78 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 55184425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).