5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione

C9H14N4O4S — CID 63765075

IUPAC5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CC(N)C2)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O4S/c1-11-5-7(8(14)12(2)9(11)15)18(16,17)13-3-6(10)4-13/h5-6H,3-4,10H2,1-2H3
InChIKeyMJEAEIJMXUTQHT-UHFFFAOYSA-N
MW274.30 g/mol
LogP-2.58
Rot. Bonds2

About 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione

5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 63765075) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID63765075
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CC(N)C2)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O4S/c1-11-5-7(8(14)12(2)9(11)15)18(16,17)13-3-6(10)4-13/h5-6H,3-4,10H2,1-2H3
InChIKeyMJEAEIJMXUTQHT-UHFFFAOYSA-N
XLogP-2.58
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-2.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylazetidin-3-yl]acetic acid
CID 64618231
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 79031036
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120765702
1,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196398
5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 43063031
1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride
CID 119961286
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119987763
5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 103871485
1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl fluoride
CID 122236176
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 120777245
1,3-dimethyl-5-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]pyrimidine-2,4-dione
CID 60703229
ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate
CID 7196384

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 63765075) is 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(S(=O)(=O)N2CC(N)C2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MJEAEIJMXUTQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-11-5-7(8(14)12(2)9(11)15)18(16,17)13-3-6(10)4-13/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 274.30 g/mol, XLogP of -2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 63765075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).