5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine

C8H4Cl2N4O — CID 168863078

IUPAC5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
SMILESClc1cnc(Oc2ncc(Cl)cn2)nc1
InChIInChI=1S/C8H4Cl2N4O/c9-5-1-11-7(12-2-5)15-8-13-3-6(10)4-14-8/h1-4H
InChIKeyVKTIBAWYHUZOAY-UHFFFAOYSA-N
MW243.05 g/mol
LogP2.37
Rot. Bonds2

About 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine

5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine (PubChem CID 168863078) has the molecular formula C8H4Cl2N4O and a molecular weight of 243.05 g/mol. Its IUPAC name is 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine.

Molecular Properties

Compound Name5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
PubChem CID168863078
Molecular FormulaC8H4Cl2N4O
Molecular Weight243.05 g/mol
Exact Mass241.98
IUPAC Name5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
SMILESClc1cnc(Oc2ncc(Cl)cn2)nc1
InChIInChI=1S/C8H4Cl2N4O/c9-5-1-11-7(12-2-5)15-8-13-3-6(10)4-14-8/h1-4H
InChIKeyVKTIBAWYHUZOAY-UHFFFAOYSA-N
XLogP2.37
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine?
The IUPAC name of 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine (CID 168863078) is 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine.
What is the SMILES notation for 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine?
The canonical SMILES for 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine is Clc1cnc(Oc2ncc(Cl)cn2)nc1.
What is the InChIKey of 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine?
The InChIKey is VKTIBAWYHUZOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4O/c9-5-1-11-7(12-2-5)15-8-13-3-6(10)4-14-8/h1-4H.
What are the key properties of 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine?
5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine has a molecular weight of 243.05 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine is sourced from PubChem (CID 168863078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).