5-chloro-4-(2-chlorophenyl)pyrimidine

C10H6Cl2N2 — CID 105370973

IUPAC5-chloro-4-(2-chlorophenyl)pyrimidine
SMILESClc1ccccc1-c1ncncc1Cl
InChIInChI=1S/C10H6Cl2N2/c11-8-4-2-1-3-7(8)10-9(12)5-13-6-14-10/h1-6H
InChIKeyZEYSPQHYCSHPGT-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.45
Rot. Bonds1

About 5-chloro-4-(2-chlorophenyl)pyrimidine

5-chloro-4-(2-chlorophenyl)pyrimidine (PubChem CID 105370973) has the molecular formula C10H6Cl2N2 and a molecular weight of 225.08 g/mol. Its IUPAC name is 5-chloro-4-(2-chlorophenyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(2-chlorophenyl)pyrimidine
PubChem CID105370973
Molecular FormulaC10H6Cl2N2
Molecular Weight225.08 g/mol
Exact Mass223.99
IUPAC Name5-chloro-4-(2-chlorophenyl)pyrimidine
SMILESClc1ccccc1-c1ncncc1Cl
InChIInChI=1S/C10H6Cl2N2/c11-8-4-2-1-3-7(8)10-9(12)5-13-6-14-10/h1-6H
InChIKeyZEYSPQHYCSHPGT-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine
CID 105475068
N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211188
2-(5-chloropyrimidin-4-yl)quinoline
CID 105371578
5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine
CID 130088704
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid
CID 156842574
4-(2-chlorophenyl)-5-methylpyrimidin-2-amine
CID 68614881
5-(5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 102627237
2-bromo-5-(2-chlorophenyl)-1,3-oxazole
CID 117259589
5-(2-chlorophenyl)pyrimidin-2-amine
CID 66520129
4-(2,6-dichlorophenyl)pyrimidine-5-carboxylic acid
CID 118852442
4-(5-chloropyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 90383362

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-chlorophenyl)pyrimidine?
The IUPAC name of 5-chloro-4-(2-chlorophenyl)pyrimidine (CID 105370973) is 5-chloro-4-(2-chlorophenyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-(2-chlorophenyl)pyrimidine?
The canonical SMILES for 5-chloro-4-(2-chlorophenyl)pyrimidine is Clc1ccccc1-c1ncncc1Cl.
What is the InChIKey of 5-chloro-4-(2-chlorophenyl)pyrimidine?
The InChIKey is ZEYSPQHYCSHPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2/c11-8-4-2-1-3-7(8)10-9(12)5-13-6-14-10/h1-6H.
What are the key properties of 5-chloro-4-(2-chlorophenyl)pyrimidine?
5-chloro-4-(2-chlorophenyl)pyrimidine has a molecular weight of 225.08 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-chlorophenyl)pyrimidine is sourced from PubChem (CID 105370973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).