2-butyl-4-chloro-6-ethyl-5-iodopyrimidine

C10H14ClIN2 — CID 79405219

IUPAC2-butyl-4-chloro-6-ethyl-5-iodopyrimidine
SMILESCCCCc1nc(Cl)c(I)c(CC)n1
InChIInChI=1S/C10H14ClIN2/c1-3-5-6-8-13-7(4-2)9(12)10(11)14-8/h3-6H2,1-2H3
InChIKeyZLMMRUZVTSHKQG-UHFFFAOYSA-N
MW324.59 g/mol
LogP3.64
Rot. Bonds4

About 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine

2-butyl-4-chloro-6-ethyl-5-iodopyrimidine (PubChem CID 79405219) has the molecular formula C10H14ClIN2 and a molecular weight of 324.59 g/mol. Its IUPAC name is 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine.

Molecular Properties

Compound Name2-butyl-4-chloro-6-ethyl-5-iodopyrimidine
PubChem CID79405219
Molecular FormulaC10H14ClIN2
Molecular Weight324.59 g/mol
Exact Mass323.99
IUPAC Name2-butyl-4-chloro-6-ethyl-5-iodopyrimidine
SMILESCCCCc1nc(Cl)c(I)c(CC)n1
InChIInChI=1S/C10H14ClIN2/c1-3-5-6-8-13-7(4-2)9(12)10(11)14-8/h3-6H2,1-2H3
InChIKeyZLMMRUZVTSHKQG-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.59
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine?
The IUPAC name of 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine (CID 79405219) is 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine.
What is the SMILES notation for 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine?
The canonical SMILES for 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine is CCCCc1nc(Cl)c(I)c(CC)n1.
What is the InChIKey of 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine?
The InChIKey is ZLMMRUZVTSHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2/c1-3-5-6-8-13-7(4-2)9(12)10(11)14-8/h3-6H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine?
2-butyl-4-chloro-6-ethyl-5-iodopyrimidine has a molecular weight of 324.59 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-6-ethyl-5-iodopyrimidine is sourced from PubChem (CID 79405219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).