4,6-dichloro-5-iodo-2-methoxypyrimidine

C5H3Cl2IN2O — CID 73012684

IUPAC4,6-dichloro-5-iodo-2-methoxypyrimidine
SMILESCOc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C5H3Cl2IN2O/c1-11-5-9-3(6)2(8)4(7)10-5/h1H3
InChIKeyMGDFJEMQVVCMEW-UHFFFAOYSA-N
MW304.90 g/mol
LogP2.40
Rot. Bonds1

About 4,6-dichloro-5-iodo-2-methoxypyrimidine

4,6-dichloro-5-iodo-2-methoxypyrimidine (PubChem CID 73012684) has the molecular formula C5H3Cl2IN2O and a molecular weight of 304.90 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-methoxypyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-methoxypyrimidine
PubChem CID73012684
Molecular FormulaC5H3Cl2IN2O
Molecular Weight304.90 g/mol
Exact Mass303.87
IUPAC Name4,6-dichloro-5-iodo-2-methoxypyrimidine
SMILESCOc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C5H3Cl2IN2O/c1-11-5-9-3(6)2(8)4(7)10-5/h1H3
InChIKeyMGDFJEMQVVCMEW-UHFFFAOYSA-N
XLogP2.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.90
LogP ≤ 52.40
H-Bond Donors ≤ 50
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 4,6-dichloro-5-iodo-2-methoxypyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-methoxypyrimidine (CID 73012684) is 4,6-dichloro-5-iodo-2-methoxypyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-methoxypyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-methoxypyrimidine is COc1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-methoxypyrimidine?
The InChIKey is MGDFJEMQVVCMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2IN2O/c1-11-5-9-3(6)2(8)4(7)10-5/h1H3.
What are the key properties of 4,6-dichloro-5-iodo-2-methoxypyrimidine?
4,6-dichloro-5-iodo-2-methoxypyrimidine has a molecular weight of 304.90 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-methoxypyrimidine is sourced from PubChem (CID 73012684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).