2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine

C16H10Cl2N2 — CID 134378286

IUPAC2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine
SMILESClc1cccc(Cl)c1-c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C16H10Cl2N2/c17-13-3-1-4-14(18)15(13)11-5-7-12(8-6-11)16-19-9-2-10-20-16/h1-10H
InChIKeyKHCKJONIHRGJTD-UHFFFAOYSA-N
MW301.18 g/mol
LogP5.12
Rot. Bonds2

About 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine

2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine (PubChem CID 134378286) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine
PubChem CID134378286
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine
SMILESClc1cccc(Cl)c1-c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C16H10Cl2N2/c17-13-3-1-4-14(18)15(13)11-5-7-12(8-6-11)16-19-9-2-10-20-16/h1-10H
InChIKeyKHCKJONIHRGJTD-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

1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
2-phenylpyrimidine
CID 593578
4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552818
2,3-dichloro-5-(2,6-dichlorophenyl)pyridine
CID 118826487
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
4-(2,6-dichlorophenyl)-2,6-diphenylpyridine
CID 139203314
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
CID 101434001
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
N-methyl-4-pyrimidin-2-ylaniline
CID 59619192
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine?
The IUPAC name of 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine (CID 134378286) is 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine?
The canonical SMILES for 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine is Clc1cccc(Cl)c1-c1ccc(-c2ncccn2)cc1.
What is the InChIKey of 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine?
The InChIKey is KHCKJONIHRGJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c17-13-3-1-4-14(18)15(13)11-5-7-12(8-6-11)16-19-9-2-10-20-16/h1-10H.
What are the key properties of 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine?
2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine 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 2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine is sourced from PubChem (CID 134378286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).