4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine

C6H6ClIN2S — CID 66293069

IUPAC4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1ncc(I)c(Cl)n1
InChIInChI=1S/C6H6ClIN2S/c1-11-3-5-9-2-4(8)6(7)10-5/h2H,3H2,1H3
InChIKeyATYZHYJRMVQYHO-UHFFFAOYSA-N
MW300.55 g/mol
LogP2.60
Rot. Bonds2

About 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine

4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine (PubChem CID 66293069) has the molecular formula C6H6ClIN2S and a molecular weight of 300.55 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
PubChem CID66293069
Molecular FormulaC6H6ClIN2S
Molecular Weight300.55 g/mol
Exact Mass299.90
IUPAC Name4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1ncc(I)c(Cl)n1
InChIInChI=1S/C6H6ClIN2S/c1-11-3-5-9-2-4(8)6(7)10-5/h2H,3H2,1H3
InChIKeyATYZHYJRMVQYHO-UHFFFAOYSA-N
XLogP2.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 52.60
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-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine (CID 66293069) is 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine is CSCc1ncc(I)c(Cl)n1.
What is the InChIKey of 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The InChIKey is ATYZHYJRMVQYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClIN2S/c1-11-3-5-9-2-4(8)6(7)10-5/h2H,3H2,1H3.
What are the key properties of 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine has a molecular weight of 300.55 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(methylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 66293069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).