4-chloro-2,6-diphenylpyrimidine

C16H11ClN2 — CID 582041

IUPAC4-chloro-2,6-diphenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11ClN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
InChIKeyMJDDVTZXYXHTRY-UHFFFAOYSA-N
MW266.73 g/mol
LogP4.46
Rot. Bonds2

About 4-chloro-2,6-diphenylpyrimidine

4-chloro-2,6-diphenylpyrimidine (PubChem CID 582041) has the molecular formula C16H11ClN2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-diphenylpyrimidine
PubChem CID582041
Molecular FormulaC16H11ClN2
Molecular Weight266.73 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2,6-diphenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11ClN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
InChIKeyMJDDVTZXYXHTRY-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-diphenylpyrimidine?
The IUPAC name of 4-chloro-2,6-diphenylpyrimidine (CID 582041) is 4-chloro-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-diphenylpyrimidine?
The canonical SMILES for 4-chloro-2,6-diphenylpyrimidine is Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2,6-diphenylpyrimidine?
The InChIKey is MJDDVTZXYXHTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4-chloro-2,6-diphenylpyrimidine?
4-chloro-2,6-diphenylpyrimidine has a molecular weight of 266.73 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-diphenylpyrimidine is sourced from PubChem (CID 582041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).