2,5-dichloro-4-ethoxypyrimidine

C6H6Cl2N2O — CID 58539192

IUPAC2,5-dichloro-4-ethoxypyrimidine
SMILESCCOc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H6Cl2N2O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3
InChIKeyUSUPRXXHCFGENX-UHFFFAOYSA-N
MW193.03 g/mol
LogP2.18
Rot. Bonds2

About 2,5-dichloro-4-ethoxypyrimidine

2,5-dichloro-4-ethoxypyrimidine (PubChem CID 58539192) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 2,5-dichloro-4-ethoxypyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-ethoxypyrimidine
PubChem CID58539192
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name2,5-dichloro-4-ethoxypyrimidine
SMILESCCOc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H6Cl2N2O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3
InChIKeyUSUPRXXHCFGENX-UHFFFAOYSA-N
XLogP2.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-ethoxypyrimidine?
The IUPAC name of 2,5-dichloro-4-ethoxypyrimidine (CID 58539192) is 2,5-dichloro-4-ethoxypyrimidine.
What is the SMILES notation for 2,5-dichloro-4-ethoxypyrimidine?
The canonical SMILES for 2,5-dichloro-4-ethoxypyrimidine is CCOc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-ethoxypyrimidine?
The InChIKey is USUPRXXHCFGENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3.
What are the key properties of 2,5-dichloro-4-ethoxypyrimidine?
2,5-dichloro-4-ethoxypyrimidine has a molecular weight of 193.03 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-ethoxypyrimidine is sourced from PubChem (CID 58539192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).