5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine

C11H17IN4O2S — CID 66509628

IUPAC5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCN(C)c1ncc(I)c(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C11H17IN4O2S/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)19(3,17)18/h7,9H,4-6H2,1-3H3
InChIKeyLGGZTFXOLAQMBM-UHFFFAOYSA-N
MW396.25 g/mol
LogP1.24
Rot. Bonds3

About 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine

5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine (PubChem CID 66509628) has the molecular formula C11H17IN4O2S and a molecular weight of 396.25 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
PubChem CID66509628
Molecular FormulaC11H17IN4O2S
Molecular Weight396.25 g/mol
Exact Mass396.01
IUPAC Name5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCN(C)c1ncc(I)c(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C11H17IN4O2S/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)19(3,17)18/h7,9H,4-6H2,1-3H3
InChIKeyLGGZTFXOLAQMBM-UHFFFAOYSA-N
XLogP1.24
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine (CID 66509628) is 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine is CN(C)c1ncc(I)c(C2CCCN2S(C)(=O)=O)n1.
What is the InChIKey of 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine?
The InChIKey is LGGZTFXOLAQMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O2S/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)19(3,17)18/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine?
5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine has a molecular weight of 396.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 66509628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).