2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine

C16H8Cl4N2 — CID 59834794

IUPAC2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine
SMILESClc1ccc(-c2nc(Cl)nc(Cl)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H8Cl4N2/c17-11-5-1-9(2-6-11)13-14(21-16(20)22-15(13)19)10-3-7-12(18)8-4-10/h1-8H
InChIKeyQCBOSEQJXRUBEG-UHFFFAOYSA-N
MW370.07 g/mol
LogP6.42
Rot. Bonds2

About 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine

2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine (PubChem CID 59834794) has the molecular formula C16H8Cl4N2 and a molecular weight of 370.07 g/mol. Its IUPAC name is 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine
PubChem CID59834794
Molecular FormulaC16H8Cl4N2
Molecular Weight370.07 g/mol
Exact Mass367.94
IUPAC Name2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine
SMILESClc1ccc(-c2nc(Cl)nc(Cl)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H8Cl4N2/c17-11-5-1-9(2-6-11)13-14(21-16(20)22-15(13)19)10-3-7-12(18)8-4-10/h1-8H
InChIKeyQCBOSEQJXRUBEG-UHFFFAOYSA-N
XLogP6.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.07
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
CID 21409105
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
azane;1,4-dichlorobenzene
CID 69330361
3,4,5-trichloro-6-(4-chlorophenyl)pyridazine
CID 19375464
2-chloro-4-(4-chlorophenyl)-7-phenylpyrido[2,3-d]pyrimidine
CID 146013470
13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524454
4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine
CID 79437867
1,6-dichloro-3,4-diphenylisoquinoline
CID 102204844
4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
CID 79438112
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
CID 79432804
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine?
The IUPAC name of 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine (CID 59834794) is 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine is Clc1ccc(-c2nc(Cl)nc(Cl)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine?
The InChIKey is QCBOSEQJXRUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl4N2/c17-11-5-1-9(2-6-11)13-14(21-16(20)22-15(13)19)10-3-7-12(18)8-4-10/h1-8H.
What are the key properties of 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine?
2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine has a molecular weight of 370.07 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,6-bis(4-chlorophenyl)pyrimidine is sourced from PubChem (CID 59834794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).