4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine

C21H14ClN3 — CID 146632020

IUPAC4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
SMILESClc1cc(-c2ccc(-c3ccccc3)nc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H14ClN3/c22-20-13-19(24-21(25-20)16-9-5-2-6-10-16)17-11-12-18(23-14-17)15-7-3-1-4-8-15/h1-14H
InChIKeyJUDLSSGPJJCPNA-UHFFFAOYSA-N
MW343.82 g/mol
LogP5.53
Rot. Bonds3

About 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine

4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine (PubChem CID 146632020) has the molecular formula C21H14ClN3 and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
PubChem CID146632020
Molecular FormulaC21H14ClN3
Molecular Weight343.82 g/mol
Exact Mass343.09
IUPAC Name4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
SMILESClc1cc(-c2ccc(-c3ccccc3)nc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H14ClN3/c22-20-13-19(24-21(25-20)16-9-5-2-6-10-16)17-11-12-18(23-14-17)15-7-3-1-4-8-15/h1-14H
InChIKeyJUDLSSGPJJCPNA-UHFFFAOYSA-N
XLogP5.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.82
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine
CID 135379552
4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
CID 145132508
CID 145132508
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 146632584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine (CID 146632020) is 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine is Clc1cc(-c2ccc(-c3ccccc3)nc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine?
The InChIKey is JUDLSSGPJJCPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3/c22-20-13-19(24-21(25-20)16-9-5-2-6-10-16)17-11-12-18(23-14-17)15-7-3-1-4-8-15/h1-14H.
What are the key properties of 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine?
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine has a molecular weight of 343.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 146632020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).