4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine

C8H10Cl2N2 — CID 94077114

IUPAC4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(CCCl)c(Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-5-7(3-4-9)8(10)12-6(2)11-5/h3-4H2,1-2H3
InChIKeyNSEUTEVJLKUCNM-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.53
Rot. Bonds2

About 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine

4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine (PubChem CID 94077114) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine
PubChem CID94077114
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(CCCl)c(Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-5-7(3-4-9)8(10)12-6(2)11-5/h3-4H2,1-2H3
InChIKeyNSEUTEVJLKUCNM-UHFFFAOYSA-N
XLogP2.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.53
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 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine (CID 94077114) is 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine is Cc1nc(C)c(CCCl)c(Cl)n1.
What is the InChIKey of 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine?
The InChIKey is NSEUTEVJLKUCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-5-7(3-4-9)8(10)12-6(2)11-5/h3-4H2,1-2H3.
What are the key properties of 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine?
4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine has a molecular weight of 205.09 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 94077114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).