4,6-dichloro-2,5-diethylpyrimidine

C8H10Cl2N2 — CID 63611312

IUPAC4,6-dichloro-2,5-diethylpyrimidine
SMILESCCc1nc(Cl)c(CC)c(Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-3-5-7(9)11-6(4-2)12-8(5)10/h3-4H2,1-2H3
InChIKeyCZYKKFVBOLHIHQ-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.91
Rot. Bonds2

About 4,6-dichloro-2,5-diethylpyrimidine

4,6-dichloro-2,5-diethylpyrimidine (PubChem CID 63611312) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 4,6-dichloro-2,5-diethylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2,5-diethylpyrimidine
PubChem CID63611312
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name4,6-dichloro-2,5-diethylpyrimidine
SMILESCCc1nc(Cl)c(CC)c(Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-3-5-7(9)11-6(4-2)12-8(5)10/h3-4H2,1-2H3
InChIKeyCZYKKFVBOLHIHQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2,5-diethylpyrimidine?
The IUPAC name of 4,6-dichloro-2,5-diethylpyrimidine (CID 63611312) is 4,6-dichloro-2,5-diethylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2,5-diethylpyrimidine?
The canonical SMILES for 4,6-dichloro-2,5-diethylpyrimidine is CCc1nc(Cl)c(CC)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2,5-diethylpyrimidine?
The InChIKey is CZYKKFVBOLHIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-3-5-7(9)11-6(4-2)12-8(5)10/h3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-2,5-diethylpyrimidine?
4,6-dichloro-2,5-diethylpyrimidine has a molecular weight of 205.09 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,5-diethylpyrimidine is sourced from PubChem (CID 63611312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).