[1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H13FN4O4S — CID 168675783

IUPAC[1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(N2CC(CS(=O)(=O)F)CC2=O)nc(N)n1
InChIInChI=1S/C10H13FN4O4S/c1-19-8-3-7(13-10(12)14-8)15-4-6(2-9(15)16)5-20(11,17)18/h3,6H,2,4-5H2,1H3,(H2,12,13,14)
InChIKeyLLJNYHTULLSBRY-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.28
Rot. Bonds4

About [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675783) has the molecular formula C10H13FN4O4S and a molecular weight of 304.30 g/mol. Its IUPAC name is [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675783
Molecular FormulaC10H13FN4O4S
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name[1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(N2CC(CS(=O)(=O)F)CC2=O)nc(N)n1
InChIInChI=1S/C10H13FN4O4S/c1-19-8-3-7(13-10(12)14-8)15-4-6(2-9(15)16)5-20(11,17)18/h3,6H,2,4-5H2,1H3,(H2,12,13,14)
InChIKeyLLJNYHTULLSBRY-UHFFFAOYSA-N
XLogP-0.28
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(4-Chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675748
[1-(2,6-Dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675757
[1-(4,6-Dimethoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675762
[1-(4-Amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675782
[1-(4-Methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675785
[1-(6-Methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675792
[1-(4-Methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676156
[1-(4,6-Diaminopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677811
[1-(2,6-Diaminopyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677812
1-(4-Chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714152
1-(2,6-Dimethoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714161
1-(4,6-Dimethoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714166

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675783) is [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1cc(N2CC(CS(=O)(=O)F)CC2=O)nc(N)n1.
What is the InChIKey of [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is LLJNYHTULLSBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O4S/c1-19-8-3-7(13-10(12)14-8)15-4-6(2-9(15)16)5-20(11,17)18/h3,6H,2,4-5H2,1H3,(H2,12,13,14).
What are the key properties of [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 304.30 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).