4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine

C11H16ClIN2O — CID 66291962

IUPAC4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine
SMILESCCOCc1nc(Cl)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C11H16ClIN2O/c1-5-16-6-7-14-9(11(2,3)4)8(13)10(12)15-7/h5-6H2,1-4H3
InChIKeyGLBAMFAIJYRXMF-UHFFFAOYSA-N
MW354.62 g/mol
LogP3.57
Rot. Bonds3

About 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine

4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine (PubChem CID 66291962) has the molecular formula C11H16ClIN2O and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine
PubChem CID66291962
Molecular FormulaC11H16ClIN2O
Molecular Weight354.62 g/mol
Exact Mass354.00
IUPAC Name4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine
SMILESCCOCc1nc(Cl)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C11H16ClIN2O/c1-5-16-6-7-14-9(11(2,3)4)8(13)10(12)15-7/h5-6H2,1-4H3
InChIKeyGLBAMFAIJYRXMF-UHFFFAOYSA-N
XLogP3.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 53.57
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-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine (CID 66291962) is 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine is CCOCc1nc(Cl)c(I)c(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine?
The InChIKey is GLBAMFAIJYRXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClIN2O/c1-5-16-6-7-14-9(11(2,3)4)8(13)10(12)15-7/h5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine?
4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine has a molecular weight of 354.62 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(ethoxymethyl)-5-iodopyrimidine is sourced from PubChem (CID 66291962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).