2,4-dichloro-5-(2-chloroethyl)pyrimidine

C6H5Cl3N2 — CID 56835046

IUPAC2,4-dichloro-5-(2-chloroethyl)pyrimidine
SMILESClCCc1cnc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl3N2/c7-2-1-4-3-10-6(9)11-5(4)8/h3H,1-2H2
InChIKeySRKSCTXRRPGGQB-UHFFFAOYSA-N
MW211.48 g/mol
LogP2.56
Rot. Bonds2

About 2,4-dichloro-5-(2-chloroethyl)pyrimidine

2,4-dichloro-5-(2-chloroethyl)pyrimidine (PubChem CID 56835046) has the molecular formula C6H5Cl3N2 and a molecular weight of 211.48 g/mol. Its IUPAC name is 2,4-dichloro-5-(2-chloroethyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(2-chloroethyl)pyrimidine
PubChem CID56835046
Molecular FormulaC6H5Cl3N2
Molecular Weight211.48 g/mol
Exact Mass209.95
IUPAC Name2,4-dichloro-5-(2-chloroethyl)pyrimidine
SMILESClCCc1cnc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl3N2/c7-2-1-4-3-10-6(9)11-5(4)8/h3H,1-2H2
InChIKeySRKSCTXRRPGGQB-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.48
LogP ≤ 52.56
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)pyrimidine?
The IUPAC name of 2,4-dichloro-5-(2-chloroethyl)pyrimidine (CID 56835046) is 2,4-dichloro-5-(2-chloroethyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(2-chloroethyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(2-chloroethyl)pyrimidine is ClCCc1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-(2-chloroethyl)pyrimidine?
The InChIKey is SRKSCTXRRPGGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3N2/c7-2-1-4-3-10-6(9)11-5(4)8/h3H,1-2H2.
What are the key properties of 2,4-dichloro-5-(2-chloroethyl)pyrimidine?
2,4-dichloro-5-(2-chloroethyl)pyrimidine has a molecular weight of 211.48 g/mol, XLogP of 2.56, 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)pyrimidine is sourced from PubChem (CID 56835046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).