5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine

C13H20ClN3 — CID 83184496

IUPAC5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine
SMILESCc1nc(N2CCC(C)CC2C)ncc1CCl
InChIInChI=1S/C13H20ClN3/c1-9-4-5-17(10(2)6-9)13-15-8-12(7-14)11(3)16-13/h8-10H,4-7H2,1-3H3
InChIKeyOGOVTFYJLNSXJF-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.15
Rot. Bonds2

About 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine

5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine (PubChem CID 83184496) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine
PubChem CID83184496
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine
SMILESCc1nc(N2CCC(C)CC2C)ncc1CCl
InChIInChI=1S/C13H20ClN3/c1-9-4-5-17(10(2)6-9)13-15-8-12(7-14)11(3)16-13/h8-10H,4-7H2,1-3H3
InChIKeyOGOVTFYJLNSXJF-UHFFFAOYSA-N
XLogP3.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine (CID 83184496) is 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine is Cc1nc(N2CCC(C)CC2C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine?
The InChIKey is OGOVTFYJLNSXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-4-5-17(10(2)6-9)13-15-8-12(7-14)11(3)16-13/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine?
5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine has a molecular weight of 253.78 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine is sourced from PubChem (CID 83184496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).