4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine

C10H7Cl2IN2O — CID 66312807

IUPAC4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(I)c(Cl)n2)o1
InChIInChI=1S/C10H7Cl2IN2O/c1-2-5-3-4-6(16-5)10-14-8(11)7(13)9(12)15-10/h3-4H,2H2,1H3
InChIKeyZFLBRMRBBGSEQR-UHFFFAOYSA-N
MW368.99 g/mol
LogP4.21
Rot. Bonds2

About 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine

4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine (PubChem CID 66312807) has the molecular formula C10H7Cl2IN2O and a molecular weight of 368.99 g/mol. Its IUPAC name is 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine
PubChem CID66312807
Molecular FormulaC10H7Cl2IN2O
Molecular Weight368.99 g/mol
Exact Mass367.90
IUPAC Name4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(I)c(Cl)n2)o1
InChIInChI=1S/C10H7Cl2IN2O/c1-2-5-3-4-6(16-5)10-14-8(11)7(13)9(12)15-10/h3-4H,2H2,1H3
InChIKeyZFLBRMRBBGSEQR-UHFFFAOYSA-N
XLogP4.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.99
LogP ≤ 54.21
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-2-(5-ethylfuran-2-yl)-5-iodopyrimidine?
The IUPAC name of 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine (CID 66312807) is 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine?
The canonical SMILES for 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine is CCc1ccc(-c2nc(Cl)c(I)c(Cl)n2)o1.
What is the InChIKey of 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine?
The InChIKey is ZFLBRMRBBGSEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2IN2O/c1-2-5-3-4-6(16-5)10-14-8(11)7(13)9(12)15-10/h3-4H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine?
4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine has a molecular weight of 368.99 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine is sourced from PubChem (CID 66312807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).