4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine

C16H9Cl3N2 — CID 115914999

IUPAC4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
SMILESClc1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H9Cl3N2/c17-12-7-6-11(8-13(12)18)14-9-15(19)21-16(20-14)10-4-2-1-3-5-10/h1-9H
InChIKeySXPINNRTGIMFEI-UHFFFAOYSA-N
MW335.62 g/mol
LogP5.77
Rot. Bonds2

About 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine

4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine (PubChem CID 115914999) has the molecular formula C16H9Cl3N2 and a molecular weight of 335.62 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
PubChem CID115914999
Molecular FormulaC16H9Cl3N2
Molecular Weight335.62 g/mol
Exact Mass333.98
IUPAC Name4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
SMILESClc1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H9Cl3N2/c17-12-7-6-11(8-13(12)18)14-9-15(19)21-16(20-14)10-4-2-1-3-5-10/h1-9H
InChIKeySXPINNRTGIMFEI-UHFFFAOYSA-N
XLogP5.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
CID 115915027
4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine
CID 135379552
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
4-chloro-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;(3-phenylphenyl)boronic acid
CID 163457362
4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine
CID 115915028
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine (CID 115914999) is 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine is Clc1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine?
The InChIKey is SXPINNRTGIMFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2/c17-12-7-6-11(8-13(12)18)14-9-15(19)21-16(20-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine?
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine has a molecular weight of 335.62 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine is sourced from PubChem (CID 115914999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).