4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine

C10H14ClIN2S — CID 66291965

IUPAC4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1nc(Cl)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C10H14ClIN2S/c1-10(2,3)8-7(12)9(11)14-6(13-8)5-15-4/h5H2,1-4H3
InChIKeyUWEPOHQGXFIEKD-UHFFFAOYSA-N
MW356.66 g/mol
LogP3.90
Rot. Bonds2

About 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine

4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine (PubChem CID 66291965) has the molecular formula C10H14ClIN2S and a molecular weight of 356.66 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
PubChem CID66291965
Molecular FormulaC10H14ClIN2S
Molecular Weight356.66 g/mol
Exact Mass355.96
IUPAC Name4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1nc(Cl)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C10H14ClIN2S/c1-10(2,3)8-7(12)9(11)14-6(13-8)5-15-4/h5H2,1-4H3
InChIKeyUWEPOHQGXFIEKD-UHFFFAOYSA-N
XLogP3.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.66
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine (CID 66291965) is 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine is CSCc1nc(Cl)c(I)c(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The InChIKey is UWEPOHQGXFIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2S/c1-10(2,3)8-7(12)9(11)14-6(13-8)5-15-4/h5H2,1-4H3.
What are the key properties of 4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
4-tert-butyl-6-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine has a molecular weight of 356.66 g/mol, XLogP of 3.90, 2 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-5-iodo-2-(methylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 66291965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).