5-chloro-2,4,6-triphenylpyrimidine

C22H15ClN2 — CID 10958822

IUPAC5-chloro-2,4,6-triphenylpyrimidine
SMILESClc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H15ClN2/c23-19-20(16-10-4-1-5-11-16)24-22(18-14-8-3-9-15-18)25-21(19)17-12-6-2-7-13-17/h1-15H
InChIKeyPLEAAWRWIMFGAN-UHFFFAOYSA-N
MW342.83 g/mol
LogP6.13
Rot. Bonds3

About 5-chloro-2,4,6-triphenylpyrimidine

5-chloro-2,4,6-triphenylpyrimidine (PubChem CID 10958822) has the molecular formula C22H15ClN2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-2,4,6-triphenylpyrimidine.

Molecular Properties

Compound Name5-chloro-2,4,6-triphenylpyrimidine
PubChem CID10958822
Molecular FormulaC22H15ClN2
Molecular Weight342.83 g/mol
Exact Mass342.09
IUPAC Name5-chloro-2,4,6-triphenylpyrimidine
SMILESClc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H15ClN2/c23-19-20(16-10-4-1-5-11-16)24-22(18-14-8-3-9-15-18)25-21(19)17-12-6-2-7-13-17/h1-15H
InChIKeyPLEAAWRWIMFGAN-UHFFFAOYSA-N
XLogP6.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4,6-triphenylpyrimidine?
The IUPAC name of 5-chloro-2,4,6-triphenylpyrimidine (CID 10958822) is 5-chloro-2,4,6-triphenylpyrimidine.
What is the SMILES notation for 5-chloro-2,4,6-triphenylpyrimidine?
The canonical SMILES for 5-chloro-2,4,6-triphenylpyrimidine is Clc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-chloro-2,4,6-triphenylpyrimidine?
The InChIKey is PLEAAWRWIMFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2/c23-19-20(16-10-4-1-5-11-16)24-22(18-14-8-3-9-15-18)25-21(19)17-12-6-2-7-13-17/h1-15H.
What are the key properties of 5-chloro-2,4,6-triphenylpyrimidine?
5-chloro-2,4,6-triphenylpyrimidine has a molecular weight of 342.83 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4,6-triphenylpyrimidine is sourced from PubChem (CID 10958822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).