2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine

C22H16ClN3 — CID 23188712

IUPAC2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2cccc(Cc3ccccc3)n2)n1
InChIInChI=1S/C22H16ClN3/c23-21-15-20(17-10-5-2-6-11-17)25-22(26-21)19-13-7-12-18(24-19)14-16-8-3-1-4-9-16/h1-13,15H,14H2
InChIKeyCYODSGCCDUEOTH-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.45
Rot. Bonds4

About 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine

2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine (PubChem CID 23188712) has the molecular formula C22H16ClN3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine
PubChem CID23188712
Molecular FormulaC22H16ClN3
Molecular Weight357.84 g/mol
Exact Mass357.10
IUPAC Name2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2cccc(Cc3ccccc3)n2)n1
InChIInChI=1S/C22H16ClN3/c23-21-15-20(17-10-5-2-6-11-17)25-22(26-21)19-13-7-12-18(24-19)14-16-8-3-1-4-9-16/h1-13,15H,14H2
InChIKeyCYODSGCCDUEOTH-UHFFFAOYSA-N
XLogP5.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine?
The IUPAC name of 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine (CID 23188712) is 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine.
What is the SMILES notation for 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine?
The canonical SMILES for 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine is Clc1cc(-c2ccccc2)nc(-c2cccc(Cc3ccccc3)n2)n1.
What is the InChIKey of 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine?
The InChIKey is CYODSGCCDUEOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3/c23-21-15-20(17-10-5-2-6-11-17)25-22(26-21)19-13-7-12-18(24-19)14-16-8-3-1-4-9-16/h1-13,15H,14H2.
What are the key properties of 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine?
2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine has a molecular weight of 357.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine is sourced from PubChem (CID 23188712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).