4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine

C11H10ClIN2O — CID 104789169

IUPAC4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine
SMILESCCc1nc(-c2ccoc2C)nc(Cl)c1I
InChIInChI=1S/C11H10ClIN2O/c1-3-8-9(13)10(12)15-11(14-8)7-4-5-16-6(7)2/h4-5H,3H2,1-2H3
InChIKeyVJSJXILYKYZLQO-UHFFFAOYSA-N
MW348.57 g/mol
LogP3.87
Rot. Bonds2

About 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine

4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine (PubChem CID 104789169) has the molecular formula C11H10ClIN2O and a molecular weight of 348.57 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine
PubChem CID104789169
Molecular FormulaC11H10ClIN2O
Molecular Weight348.57 g/mol
Exact Mass347.95
IUPAC Name4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine
SMILESCCc1nc(-c2ccoc2C)nc(Cl)c1I
InChIInChI=1S/C11H10ClIN2O/c1-3-8-9(13)10(12)15-11(14-8)7-4-5-16-6(7)2/h4-5H,3H2,1-2H3
InChIKeyVJSJXILYKYZLQO-UHFFFAOYSA-N
XLogP3.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.57
LogP ≤ 53.87
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-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine (CID 104789169) is 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine is CCc1nc(-c2ccoc2C)nc(Cl)c1I.
What is the InChIKey of 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine?
The InChIKey is VJSJXILYKYZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2O/c1-3-8-9(13)10(12)15-11(14-8)7-4-5-16-6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine?
4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine has a molecular weight of 348.57 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine is sourced from PubChem (CID 104789169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).