4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine

C8H5Cl2IN4 — CID 66312804

IUPAC4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCn1cncc1-c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C8H5Cl2IN4/c1-15-3-12-2-4(15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3
InChIKeyRDURGSGXJKXJIJ-UHFFFAOYSA-N
MW354.97 g/mol
LogP2.79
Rot. Bonds1

About 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine

4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine (PubChem CID 66312804) has the molecular formula C8H5Cl2IN4 and a molecular weight of 354.97 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine
PubChem CID66312804
Molecular FormulaC8H5Cl2IN4
Molecular Weight354.97 g/mol
Exact Mass353.89
IUPAC Name4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCn1cncc1-c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C8H5Cl2IN4/c1-15-3-12-2-4(15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3
InChIKeyRDURGSGXJKXJIJ-UHFFFAOYSA-N
XLogP2.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.97
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine (CID 66312804) is 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine is Cn1cncc1-c1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine?
The InChIKey is RDURGSGXJKXJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2IN4/c1-15-3-12-2-4(15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3.
What are the key properties of 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine?
4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine has a molecular weight of 354.97 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-(3-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66312804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).