4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine

C16H10Cl2N2 — CID 582047

IUPAC4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
SMILESClc1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H10Cl2N2/c17-13-8-6-12(7-9-13)16-19-14(10-15(18)20-16)11-4-2-1-3-5-11/h1-10H
InChIKeyHSWKCVFQBNVVGP-UHFFFAOYSA-N
MW301.18 g/mol
LogP5.12
Rot. Bonds2

About 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine

4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine (PubChem CID 582047) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
PubChem CID582047
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
SMILESClc1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H10Cl2N2/c17-13-8-6-12(7-9-13)16-19-14(10-15(18)20-16)11-4-2-1-3-5-11/h1-10H
InChIKeyHSWKCVFQBNVVGP-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.18
LogP ≤ 55.12
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-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
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
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine (CID 582047) is 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine is Clc1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine?
The InChIKey is HSWKCVFQBNVVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c17-13-8-6-12(7-9-13)16-19-14(10-15(18)20-16)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine?
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine has a molecular weight of 301.18 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine is sourced from PubChem (CID 582047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).