2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine

C10H5Cl3IN3 — CID 165395228

IUPAC2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine
SMILESClc1ccc(I)c(Nc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C10H5Cl3IN3/c11-5-1-2-7(14)8(3-5)16-9-6(12)4-15-10(13)17-9/h1-4H,(H,15,16,17)
InChIKeyQELBTVGQXOZGEY-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.78
Rot. Bonds2

About 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine

2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine (PubChem CID 165395228) has the molecular formula C10H5Cl3IN3 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine
PubChem CID165395228
Molecular FormulaC10H5Cl3IN3
Molecular Weight400.43 g/mol
Exact Mass398.86
IUPAC Name2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine
SMILESClc1ccc(I)c(Nc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C10H5Cl3IN3/c11-5-1-2-7(14)8(3-5)16-9-6(12)4-15-10(13)17-9/h1-4H,(H,15,16,17)
InChIKeyQELBTVGQXOZGEY-UHFFFAOYSA-N
XLogP4.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine (CID 165395228) is 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine is Clc1ccc(I)c(Nc2nc(Cl)ncc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine?
The InChIKey is QELBTVGQXOZGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3IN3/c11-5-1-2-7(14)8(3-5)16-9-6(12)4-15-10(13)17-9/h1-4H,(H,15,16,17).
What are the key properties of 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine?
2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine has a molecular weight of 400.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine is sourced from PubChem (CID 165395228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).