1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione

C11H17N3O4S — CID 7475179

IUPAC1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione
SMILESCc1c(S(=O)(=O)N2CCCC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H17N3O4S/c1-8-9(10(15)13(3)11(16)12(8)2)19(17,18)14-6-4-5-7-14/h4-7H2,1-3H3
InChIKeySVUVLQIRYWJBCS-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.82
Rot. Bonds2

About 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione

1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione (PubChem CID 7475179) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione
PubChem CID7475179
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione
SMILESCc1c(S(=O)(=O)N2CCCC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H17N3O4S/c1-8-9(10(15)13(3)11(16)12(8)2)19(17,18)14-6-4-5-7-14/h4-7H2,1-3H3
InChIKeySVUVLQIRYWJBCS-UHFFFAOYSA-N
XLogP-0.82
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1,2,5-trimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-3-carboxylate
CID 20927282
5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 155881756
1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide
CID 7475178
5-(azepan-1-ylsulfonyl)-6-bromo-1,3-dimethylbenzimidazol-2-one
CID 71873704
(2,4,6-trimethylphenyl) 1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonate
CID 7475329
1-(3-bromo-2,4,6-trimethylphenyl)sulfonylazepane
CID 91670160
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
ethyl 4-(azepan-1-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069155
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264791
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione (CID 7475179) is 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione is Cc1c(S(=O)(=O)N2CCCC2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione?
The InChIKey is SVUVLQIRYWJBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8-9(10(15)13(3)11(16)12(8)2)19(17,18)14-6-4-5-7-14/h4-7H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione?
1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione has a molecular weight of 287.34 g/mol, XLogP of -0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-pyrrolidin-1-ylsulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 7475179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).