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

C5H3Cl2IN2 — CID 86049608

IUPAC4,6-dichloro-2-(iodomethyl)pyrimidine
SMILESClc1cc(Cl)nc(CI)n1
InChIInChI=1S/C5H3Cl2IN2/c6-3-1-4(7)10-5(2-8)9-3/h1H,2H2
InChIKeyVNBRQTMTJZUZMY-UHFFFAOYSA-N
MW288.90 g/mol
LogP2.72
Rot. Bonds1

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

4,6-dichloro-2-(iodomethyl)pyrimidine (PubChem CID 86049608) has the molecular formula C5H3Cl2IN2 and a molecular weight of 288.90 g/mol. Its IUPAC name is 4,6-dichloro-2-(iodomethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(iodomethyl)pyrimidine
PubChem CID86049608
Molecular FormulaC5H3Cl2IN2
Molecular Weight288.90 g/mol
Exact Mass287.87
IUPAC Name4,6-dichloro-2-(iodomethyl)pyrimidine
SMILESClc1cc(Cl)nc(CI)n1
InChIInChI=1S/C5H3Cl2IN2/c6-3-1-4(7)10-5(2-8)9-3/h1H,2H2
InChIKeyVNBRQTMTJZUZMY-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.90
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(iodomethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(iodomethyl)pyrimidine (CID 86049608) is 4,6-dichloro-2-(iodomethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(iodomethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(iodomethyl)pyrimidine is Clc1cc(Cl)nc(CI)n1.
What is the InChIKey of 4,6-dichloro-2-(iodomethyl)pyrimidine?
The InChIKey is VNBRQTMTJZUZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2IN2/c6-3-1-4(7)10-5(2-8)9-3/h1H,2H2.
What are the key properties of 4,6-dichloro-2-(iodomethyl)pyrimidine?
4,6-dichloro-2-(iodomethyl)pyrimidine has a molecular weight of 288.90 g/mol, XLogP of 2.72, 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-(iodomethyl)pyrimidine is sourced from PubChem (CID 86049608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).