4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine

C8H9Cl2IN2S — CID 130752312

IUPAC4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine
SMILESCSC(C)(C)c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C8H9Cl2IN2S/c1-8(2,14-3)7-12-5(9)4(11)6(10)13-7/h1-3H3
InChIKeyRZODCFWUZPYISN-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.99
Rot. Bonds2

About 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine

4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine (PubChem CID 130752312) has the molecular formula C8H9Cl2IN2S and a molecular weight of 363.05 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine
PubChem CID130752312
Molecular FormulaC8H9Cl2IN2S
Molecular Weight363.05 g/mol
Exact Mass361.89
IUPAC Name4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine
SMILESCSC(C)(C)c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C8H9Cl2IN2S/c1-8(2,14-3)7-12-5(9)4(11)6(10)13-7/h1-3H3
InChIKeyRZODCFWUZPYISN-UHFFFAOYSA-N
XLogP3.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.99
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-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine (CID 130752312) is 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine is CSC(C)(C)c1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine?
The InChIKey is RZODCFWUZPYISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2IN2S/c1-8(2,14-3)7-12-5(9)4(11)6(10)13-7/h1-3H3.
What are the key properties of 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine?
4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine has a molecular weight of 363.05 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-(2-methylsulfanylpropan-2-yl)pyrimidine is sourced from PubChem (CID 130752312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).