5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine

C6H5F3IN3O2S — CID 122624373

IUPAC5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine
SMILESCc1nc(S(=O)(=O)C(F)(F)F)nc(N)c1I
InChIInChI=1S/C6H5F3IN3O2S/c1-2-3(10)4(11)13-5(12-2)16(14,15)6(7,8)9/h1H3,(H2,11,12,13)
InChIKeyYYEDQRDETZCXMV-UHFFFAOYSA-N
MW367.09 g/mol
LogP1.27
Rot. Bonds1

About 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine

5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine (PubChem CID 122624373) has the molecular formula C6H5F3IN3O2S and a molecular weight of 367.09 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine
PubChem CID122624373
Molecular FormulaC6H5F3IN3O2S
Molecular Weight367.09 g/mol
Exact Mass366.91
IUPAC Name5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine
SMILESCc1nc(S(=O)(=O)C(F)(F)F)nc(N)c1I
InChIInChI=1S/C6H5F3IN3O2S/c1-2-3(10)4(11)13-5(12-2)16(14,15)6(7,8)9/h1H3,(H2,11,12,13)
InChIKeyYYEDQRDETZCXMV-UHFFFAOYSA-N
XLogP1.27
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.09
LogP ≤ 51.27
H-Bond Donors ≤ 51
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-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine (CID 122624373) is 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine is Cc1nc(S(=O)(=O)C(F)(F)F)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The InChIKey is YYEDQRDETZCXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3IN3O2S/c1-2-3(10)4(11)13-5(12-2)16(14,15)6(7,8)9/h1H3,(H2,11,12,13).
What are the key properties of 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine?
5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine has a molecular weight of 367.09 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-(trifluoromethylsulfonyl)pyrimidin-4-amine is sourced from PubChem (CID 122624373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).