4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine

C15H24ClN3O — CID 62088336

IUPAC4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine
SMILESCCOC1CCN(c2cnc(C(C)C)nc2CCl)CC1
InChIInChI=1S/C15H24ClN3O/c1-4-20-12-5-7-19(8-6-12)14-10-17-15(11(2)3)18-13(14)9-16/h10-12H,4-9H2,1-3H3
InChIKeyFPNZCBPPUYIIID-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.34
Rot. Bonds5

About 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine

4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine (PubChem CID 62088336) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine
PubChem CID62088336
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine
SMILESCCOC1CCN(c2cnc(C(C)C)nc2CCl)CC1
InChIInChI=1S/C15H24ClN3O/c1-4-20-12-5-7-19(8-6-12)14-10-17-15(11(2)3)18-13(14)9-16/h10-12H,4-9H2,1-3H3
InChIKeyFPNZCBPPUYIIID-UHFFFAOYSA-N
XLogP3.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine (CID 62088336) is 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine is CCOC1CCN(c2cnc(C(C)C)nc2CCl)CC1.
What is the InChIKey of 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine?
The InChIKey is FPNZCBPPUYIIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-20-12-5-7-19(8-6-12)14-10-17-15(11(2)3)18-13(14)9-16/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine?
4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine has a molecular weight of 297.83 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 62088336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).