4-iodo-6-methyl-2-methylsulfanylpyrimidine

C6H7IN2S — CID 2736660

IUPAC4-iodo-6-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)cc(I)n1
InChIInChI=1S/C6H7IN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChIKeySXADYEHFGYLHDV-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.11
Rot. Bonds1

About 4-iodo-6-methyl-2-methylsulfanylpyrimidine

4-iodo-6-methyl-2-methylsulfanylpyrimidine (PubChem CID 2736660) has the molecular formula C6H7IN2S and a molecular weight of 266.11 g/mol. Its IUPAC name is 4-iodo-6-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-iodo-6-methyl-2-methylsulfanylpyrimidine
PubChem CID2736660
Molecular FormulaC6H7IN2S
Molecular Weight266.11 g/mol
Exact Mass265.94
IUPAC Name4-iodo-6-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)cc(I)n1
InChIInChI=1S/C6H7IN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChIKeySXADYEHFGYLHDV-UHFFFAOYSA-N
XLogP2.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 52.11
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-iodo-6-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-iodo-6-methyl-2-methylsulfanylpyrimidine (CID 2736660) is 4-iodo-6-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-iodo-6-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-iodo-6-methyl-2-methylsulfanylpyrimidine is CSc1nc(C)cc(I)n1.
What is the InChIKey of 4-iodo-6-methyl-2-methylsulfanylpyrimidine?
The InChIKey is SXADYEHFGYLHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3.
What are the key properties of 4-iodo-6-methyl-2-methylsulfanylpyrimidine?
4-iodo-6-methyl-2-methylsulfanylpyrimidine has a molecular weight of 266.11 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 2736660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).