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

C9H11FN4O3S — CID 168714658

IUPAC1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1cc(N)nc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C9H11FN4O3S/c1-5-2-7(11)13-9(12-5)14-4-6(3-8(14)15)18(10,16)17/h2,6H,3-4H2,1H3,(H2,11,12,13)
InChIKeyNWNHEFUZHDADFF-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.23
Rot. Bonds2

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

1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714658) has the molecular formula C9H11FN4O3S and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714658
Molecular FormulaC9H11FN4O3S
Molecular Weight274.28 g/mol
Exact Mass274.05
IUPAC Name1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1cc(N)nc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C9H11FN4O3S/c1-5-2-7(11)13-9(12-5)14-4-6(3-8(14)15)18(10,16)17/h2,6H,3-4H2,1H3,(H2,11,12,13)
InChIKeyNWNHEFUZHDADFF-UHFFFAOYSA-N
XLogP-0.23
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714654
1-(5,7-dimethyl-1,8-naphthyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714494
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714553
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716296
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714555
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715376
1-(5-bromo-2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714445

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714658) is 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1cc(N)nc(N2CC(S(=O)(=O)F)CC2=O)n1.
What is the InChIKey of 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is NWNHEFUZHDADFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O3S/c1-5-2-7(11)13-9(12-5)14-4-6(3-8(14)15)18(10,16)17/h2,6H,3-4H2,1H3,(H2,11,12,13).
What are the key properties of 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 274.28 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).