5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine

C13H19ClN2O — CID 83183728

IUPAC5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine
SMILESCc1nc(OC2CCCCC2C)ncc1CCl
InChIInChI=1S/C13H19ClN2O/c1-9-5-3-4-6-12(9)17-13-15-8-11(7-14)10(2)16-13/h8-9,12H,3-7H2,1-2H3
InChIKeyOEZDTQQODOULTK-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.48
Rot. Bonds3

About 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine

5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine (PubChem CID 83183728) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine
PubChem CID83183728
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine
SMILESCc1nc(OC2CCCCC2C)ncc1CCl
InChIInChI=1S/C13H19ClN2O/c1-9-5-3-4-6-12(9)17-13-15-8-11(7-14)10(2)16-13/h8-9,12H,3-7H2,1-2H3
InChIKeyOEZDTQQODOULTK-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.48
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)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine (CID 83183728) is 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine is Cc1nc(OC2CCCCC2C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine?
The InChIKey is OEZDTQQODOULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-5-3-4-6-12(9)17-13-15-8-11(7-14)10(2)16-13/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine?
5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-(2-methylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 83183728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).