5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine

C9H14IN3OS — CID 136562418

IUPAC5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine
SMILESCc1ncc(I)c(NC(C)CS(C)=O)n1
InChIInChI=1S/C9H14IN3OS/c1-6(5-15(3)14)12-9-8(10)4-11-7(2)13-9/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyDGWUZZYUCKDUOZ-UHFFFAOYSA-N
MW339.20 g/mol
LogP1.57
Rot. Bonds4

About 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine

5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine (PubChem CID 136562418) has the molecular formula C9H14IN3OS and a molecular weight of 339.20 g/mol. Its IUPAC name is 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine
PubChem CID136562418
Molecular FormulaC9H14IN3OS
Molecular Weight339.20 g/mol
Exact Mass338.99
IUPAC Name5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine
SMILESCc1ncc(I)c(NC(C)CS(C)=O)n1
InChIInChI=1S/C9H14IN3OS/c1-6(5-15(3)14)12-9-8(10)4-11-7(2)13-9/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyDGWUZZYUCKDUOZ-UHFFFAOYSA-N
XLogP1.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine (CID 136562418) is 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine is Cc1ncc(I)c(NC(C)CS(C)=O)n1.
What is the InChIKey of 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is DGWUZZYUCKDUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3OS/c1-6(5-15(3)14)12-9-8(10)4-11-7(2)13-9/h4,6H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine?
5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 339.20 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-N-(1-methylsulfinylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 136562418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).