1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H12FN3O4S — CID 168714560

IUPAC1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(C)nc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H12FN3O4S/c1-6-3-8(18-2)13-10(12-6)14-5-7(4-9(14)15)19(11,16)17/h3,7H,4-5H2,1-2H3
InChIKeyNGYWMWFJVUFTJY-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.20
Rot. Bonds3

About 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714560) has the molecular formula C10H12FN3O4S and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714560
Molecular FormulaC10H12FN3O4S
Molecular Weight289.29 g/mol
Exact Mass289.05
IUPAC Name1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(C)nc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H12FN3O4S/c1-6-3-8(18-2)13-10(12-6)14-5-7(4-9(14)15)19(11,16)17/h3,7H,4-5H2,1-2H3
InChIKeyNGYWMWFJVUFTJY-UHFFFAOYSA-N
XLogP0.20
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,6-Dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675757
[1-(4-Methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676156
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
1-(2-Amino-6-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714187
1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-sulfamoylimidazol-1-ium-1-carboxamide
CID 67832982
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-sulfamoyl-2H-1,3-thiazole-3-carboxamide
CID 67833029
1-(4-Methoxy-6-methylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 135210799
1-(4-Ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 1390588
2-Ethylsulfonyl-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 56802182
[(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide
CID 138020144
4-(4-Methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 138043092

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714560) is 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is COc1cc(C)nc(N2CC(S(=O)(=O)F)CC2=O)n1.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is NGYWMWFJVUFTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4S/c1-6-3-8(18-2)13-10(12-6)14-5-7(4-9(14)15)19(11,16)17/h3,7H,4-5H2,1-2H3.
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 289.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).