2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine

C10H6Cl2IN3 — CID 66295881

IUPAC2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cccc(Cl)c2Cl)ncc1I
InChIInChI=1S/C10H6Cl2IN3/c11-6-3-1-2-5(8(6)12)10-15-4-7(13)9(14)16-10/h1-4H,(H2,14,15,16)
InChIKeyULRAZTPROXZQID-UHFFFAOYSA-N
MW365.99 g/mol
LogP3.64
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine

2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66295881) has the molecular formula C10H6Cl2IN3 and a molecular weight of 365.99 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
PubChem CID66295881
Molecular FormulaC10H6Cl2IN3
Molecular Weight365.99 g/mol
Exact Mass364.90
IUPAC Name2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cccc(Cl)c2Cl)ncc1I
InChIInChI=1S/C10H6Cl2IN3/c11-6-3-1-2-5(8(6)12)10-15-4-7(13)9(14)16-10/h1-4H,(H2,14,15,16)
InChIKeyULRAZTPROXZQID-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.99
LogP ≤ 53.64
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-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine (CID 66295881) is 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine is Nc1nc(-c2cccc(Cl)c2Cl)ncc1I.
What is the InChIKey of 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is ULRAZTPROXZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2IN3/c11-6-3-1-2-5(8(6)12)10-15-4-7(13)9(14)16-10/h1-4H,(H2,14,15,16).
What are the key properties of 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 365.99 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66295881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).