5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine

C13H20ClN3O — CID 83184339

IUPAC5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine
SMILESCc1nc(OCCN2CCCCC2)ncc1CCl
InChIInChI=1S/C13H20ClN3O/c1-11-12(9-14)10-15-13(16-11)18-8-7-17-5-3-2-4-6-17/h10H,2-9H2,1H3
InChIKeyBVPOFWSVZWKYQE-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.39
Rot. Bonds5

About 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine

5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine (PubChem CID 83184339) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine
PubChem CID83184339
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine
SMILESCc1nc(OCCN2CCCCC2)ncc1CCl
InChIInChI=1S/C13H20ClN3O/c1-11-12(9-14)10-15-13(16-11)18-8-7-17-5-3-2-4-6-17/h10H,2-9H2,1H3
InChIKeyBVPOFWSVZWKYQE-UHFFFAOYSA-N
XLogP2.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine (CID 83184339) is 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine is Cc1nc(OCCN2CCCCC2)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine?
The InChIKey is BVPOFWSVZWKYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-11-12(9-14)10-15-13(16-11)18-8-7-17-5-3-2-4-6-17/h10H,2-9H2,1H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine?
5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine has a molecular weight of 269.78 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine is sourced from PubChem (CID 83184339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).