5-chloro-2-ethoxypyrimidine;ethane

C8H13ClN2O — CID 162757717

IUPAC5-chloro-2-ethoxypyrimidine;ethane
SMILESCC.CCOc1ncc(Cl)cn1
InChIInChI=1S/C6H7ClN2O.C2H6/c1-2-10-6-8-3-5(7)4-9-6;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyRNKZEZBSCVNROJ-UHFFFAOYSA-N
MW188.66 g/mol
LogP2.55
Rot. Bonds2

About 5-chloro-2-ethoxypyrimidine;ethane

5-chloro-2-ethoxypyrimidine;ethane (PubChem CID 162757717) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 5-chloro-2-ethoxypyrimidine;ethane.

Molecular Properties

Compound Name5-chloro-2-ethoxypyrimidine;ethane
PubChem CID162757717
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name5-chloro-2-ethoxypyrimidine;ethane
SMILESCC.CCOc1ncc(Cl)cn1
InChIInChI=1S/C6H7ClN2O.C2H6/c1-2-10-6-8-3-5(7)4-9-6;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyRNKZEZBSCVNROJ-UHFFFAOYSA-N
XLogP2.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxypyrimidine;ethane?
The IUPAC name of 5-chloro-2-ethoxypyrimidine;ethane (CID 162757717) is 5-chloro-2-ethoxypyrimidine;ethane.
What is the SMILES notation for 5-chloro-2-ethoxypyrimidine;ethane?
The canonical SMILES for 5-chloro-2-ethoxypyrimidine;ethane is CC.CCOc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-ethoxypyrimidine;ethane?
The InChIKey is RNKZEZBSCVNROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O.C2H6/c1-2-10-6-8-3-5(7)4-9-6;1-2/h3-4H,2H2,1H3;1-2H3.
What are the key properties of 5-chloro-2-ethoxypyrimidine;ethane?
5-chloro-2-ethoxypyrimidine;ethane has a molecular weight of 188.66 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxypyrimidine;ethane is sourced from PubChem (CID 162757717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).