N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

C8H11FN4O2S — CID 58318919

IUPACN'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(S(C)(=O)=O)ncc1F
InChIInChI=1S/C8H11FN4O2S/c1-13(2)5-11-7-6(9)4-10-8(12-7)16(3,14)15/h4-5H,1-3H3/b11-5+
InChIKeyUOJLJRZJDAZATH-VZUCSPMQSA-N
MW246.27 g/mol
LogP0.24
Rot. Bonds3

About N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 58318919) has the molecular formula C8H11FN4O2S and a molecular weight of 246.27 g/mol. Its IUPAC name is N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID58318919
Molecular FormulaC8H11FN4O2S
Molecular Weight246.27 g/mol
Exact Mass246.06
IUPAC NameN'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(S(C)(=O)=O)ncc1F
InChIInChI=1S/C8H11FN4O2S/c1-13(2)5-11-7-6(9)4-10-8(12-7)16(3,14)15/h4-5H,1-3H3/b11-5+
InChIKeyUOJLJRZJDAZATH-VZUCSPMQSA-N
XLogP0.24
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 58318919) is N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc(S(C)(=O)=O)ncc1F.
What is the InChIKey of N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is UOJLJRZJDAZATH-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H11FN4O2S/c1-13(2)5-11-7-6(9)4-10-8(12-7)16(3,14)15/h4-5H,1-3H3/b11-5+.
What are the key properties of N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 246.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-methylsulfonylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 58318919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).