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

C10H5Cl3N2 — CID 22353517

IUPAC4,6-dichloro-2-(4-chlorophenyl)pyrimidine
SMILESClc1ccc(-c2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C10H5Cl3N2/c11-7-3-1-6(2-4-7)10-14-8(12)5-9(13)15-10/h1-5H
InChIKeyGFMYIEIPQDGPCN-UHFFFAOYSA-N
MW259.52 g/mol
LogP4.10
Rot. Bonds1

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

4,6-dichloro-2-(4-chlorophenyl)pyrimidine (PubChem CID 22353517) has the molecular formula C10H5Cl3N2 and a molecular weight of 259.52 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-chlorophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-chlorophenyl)pyrimidine
PubChem CID22353517
Molecular FormulaC10H5Cl3N2
Molecular Weight259.52 g/mol
Exact Mass257.95
IUPAC Name4,6-dichloro-2-(4-chlorophenyl)pyrimidine
SMILESClc1ccc(-c2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C10H5Cl3N2/c11-7-3-1-6(2-4-7)10-14-8(12)5-9(13)15-10/h1-5H
InChIKeyGFMYIEIPQDGPCN-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-chlorophenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-chlorophenyl)pyrimidine (CID 22353517) is 4,6-dichloro-2-(4-chlorophenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-chlorophenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-chlorophenyl)pyrimidine is Clc1ccc(-c2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-(4-chlorophenyl)pyrimidine?
The InChIKey is GFMYIEIPQDGPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2/c11-7-3-1-6(2-4-7)10-14-8(12)5-9(13)15-10/h1-5H.
What are the key properties of 4,6-dichloro-2-(4-chlorophenyl)pyrimidine?
4,6-dichloro-2-(4-chlorophenyl)pyrimidine has a molecular weight of 259.52 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-chlorophenyl)pyrimidine is sourced from PubChem (CID 22353517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).