6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C12H12IN3OS — CID 80875276

IUPAC6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccccc2I)nc(SC)n1
InChIInChI=1S/C12H12IN3OS/c1-14-10-7-11(16-12(15-10)18-2)17-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyMBALEANSTLOABV-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.64
Rot. Bonds4

About 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80875276) has the molecular formula C12H12IN3OS and a molecular weight of 373.22 g/mol. Its IUPAC name is 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80875276
Molecular FormulaC12H12IN3OS
Molecular Weight373.22 g/mol
Exact Mass372.97
IUPAC Name6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccccc2I)nc(SC)n1
InChIInChI=1S/C12H12IN3OS/c1-14-10-7-11(16-12(15-10)18-2)17-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyMBALEANSTLOABV-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 107662702
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103176374
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80869840
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
CID 80871561
6-(2-chloro-4-nitrophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80878734
6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80863333
N-methyl-2-methylsulfanyl-6-(3-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875503
N-methyl-2-methylsulfanyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875303
[6-(2-iodophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980270

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80875276) is 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(Oc2ccccc2I)nc(SC)n1.
What is the InChIKey of 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is MBALEANSTLOABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3OS/c1-14-10-7-11(16-12(15-10)18-2)17-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 373.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80875276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).