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

C10H6Cl2IN3 — CID 66341231

IUPACN-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
SMILESClc1cccc(Nc2ncncc2I)c1Cl
InChIInChI=1S/C10H6Cl2IN3/c11-6-2-1-3-8(9(6)12)16-10-7(13)4-14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyCONGHMAHBJLIIV-UHFFFAOYSA-N
MW365.99 g/mol
LogP4.13
Rot. Bonds2

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

N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66341231) has the molecular formula C10H6Cl2IN3 and a molecular weight of 365.99 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
PubChem CID66341231
Molecular FormulaC10H6Cl2IN3
Molecular Weight365.99 g/mol
Exact Mass364.90
IUPAC NameN-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
SMILESClc1cccc(Nc2ncncc2I)c1Cl
InChIInChI=1S/C10H6Cl2IN3/c11-6-2-1-3-8(9(6)12)16-10-7(13)4-14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyCONGHMAHBJLIIV-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.99
LogP ≤ 54.13
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 N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine (CID 66341231) is N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine is Clc1cccc(Nc2ncncc2I)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is CONGHMAHBJLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2IN3/c11-6-2-1-3-8(9(6)12)16-10-7(13)4-14-5-15-10/h1-5H,(H,14,15,16).
What are the key properties of N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 365.99 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66341231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).