5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine

C20H12Cl2N4O — CID 170781390

IUPAC5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine
SMILESClc1cnc(Oc2ncc(Cl)c(-c3ccccc3)n2)nc1-c1ccccc1
InChIInChI=1S/C20H12Cl2N4O/c21-15-11-23-19(25-17(15)13-7-3-1-4-8-13)27-20-24-12-16(22)18(26-20)14-9-5-2-6-10-14/h1-12H
InChIKeyALLFJKSHIOVQLW-UHFFFAOYSA-N
MW395.25 g/mol
LogP5.70
Rot. Bonds4

About 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine

5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine (PubChem CID 170781390) has the molecular formula C20H12Cl2N4O and a molecular weight of 395.25 g/mol. Its IUPAC name is 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine
PubChem CID170781390
Molecular FormulaC20H12Cl2N4O
Molecular Weight395.25 g/mol
Exact Mass394.04
IUPAC Name5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine
SMILESClc1cnc(Oc2ncc(Cl)c(-c3ccccc3)n2)nc1-c1ccccc1
InChIInChI=1S/C20H12Cl2N4O/c21-15-11-23-19(25-17(15)13-7-3-1-4-8-13)27-20-24-12-16(22)18(26-20)14-9-5-2-6-10-14/h1-12H
InChIKeyALLFJKSHIOVQLW-UHFFFAOYSA-N
XLogP5.70
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.25
LogP ≤ 55.70
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-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine?
The IUPAC name of 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine (CID 170781390) is 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine.
What is the SMILES notation for 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine?
The canonical SMILES for 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine is Clc1cnc(Oc2ncc(Cl)c(-c3ccccc3)n2)nc1-c1ccccc1.
What is the InChIKey of 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine?
The InChIKey is ALLFJKSHIOVQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4O/c21-15-11-23-19(25-17(15)13-7-3-1-4-8-13)27-20-24-12-16(22)18(26-20)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine?
5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine has a molecular weight of 395.25 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine is sourced from PubChem (CID 170781390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).