2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine

C7H7Cl3N2 — CID 600353

IUPAC2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine
SMILESCc1nc(Cl)nc(Cl)c1CCCl
InChIInChI=1S/C7H7Cl3N2/c1-4-5(2-3-8)6(9)12-7(10)11-4/h2-3H2,1H3
InChIKeyZEDIRTAHPSPMSW-UHFFFAOYSA-N
MW225.51 g/mol
LogP2.87
Rot. Bonds2

About 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine

2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine (PubChem CID 600353) has the molecular formula C7H7Cl3N2 and a molecular weight of 225.51 g/mol. Its IUPAC name is 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine
PubChem CID600353
Molecular FormulaC7H7Cl3N2
Molecular Weight225.51 g/mol
Exact Mass223.97
IUPAC Name2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine
SMILESCc1nc(Cl)nc(Cl)c1CCCl
InChIInChI=1S/C7H7Cl3N2/c1-4-5(2-3-8)6(9)12-7(10)11-4/h2-3H2,1H3
InChIKeyZEDIRTAHPSPMSW-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine?
The IUPAC name of 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine (CID 600353) is 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine?
The canonical SMILES for 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine is Cc1nc(Cl)nc(Cl)c1CCCl.
What is the InChIKey of 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine?
The InChIKey is ZEDIRTAHPSPMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3N2/c1-4-5(2-3-8)6(9)12-7(10)11-4/h2-3H2,1H3.
What are the key properties of 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine?
2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine has a molecular weight of 225.51 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine is sourced from PubChem (CID 600353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).