4-chloro-2,6-diethylpyrimidine

C8H11ClN2 — CID 43557605

IUPAC4-chloro-2,6-diethylpyrimidine
SMILESCCc1cc(Cl)nc(CC)n1
InChIInChI=1S/C8H11ClN2/c1-3-6-5-7(9)11-8(4-2)10-6/h5H,3-4H2,1-2H3
InChIKeyNLUQKSBLKAPEDE-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.25
Rot. Bonds2

About 4-chloro-2,6-diethylpyrimidine

4-chloro-2,6-diethylpyrimidine (PubChem CID 43557605) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chloro-2,6-diethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-diethylpyrimidine
PubChem CID43557605
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-chloro-2,6-diethylpyrimidine
SMILESCCc1cc(Cl)nc(CC)n1
InChIInChI=1S/C8H11ClN2/c1-3-6-5-7(9)11-8(4-2)10-6/h5H,3-4H2,1-2H3
InChIKeyNLUQKSBLKAPEDE-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-diethylpyrimidine?
The IUPAC name of 4-chloro-2,6-diethylpyrimidine (CID 43557605) is 4-chloro-2,6-diethylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-diethylpyrimidine?
The canonical SMILES for 4-chloro-2,6-diethylpyrimidine is CCc1cc(Cl)nc(CC)n1.
What is the InChIKey of 4-chloro-2,6-diethylpyrimidine?
The InChIKey is NLUQKSBLKAPEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-3-6-5-7(9)11-8(4-2)10-6/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2,6-diethylpyrimidine?
4-chloro-2,6-diethylpyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-diethylpyrimidine is sourced from PubChem (CID 43557605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).