1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione

C16H19BrN2O4S — CID 58218130

IUPAC1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1Br
InChIInChI=1S/C16H19BrN2O4S/c1-12(13-5-2-3-6-14(13)17)11-24(22,23)10-4-8-19-9-7-15(20)18-16(19)21/h2-3,5-7,9,12H,4,8,10-11H2,1H3,(H,18,20,21)/t12-/m0/s1
InChIKeyRIRAVADQLGDPPM-LBPRGKRZSA-N
MW415.31 g/mol
LogP1.91
Rot. Bonds7

About 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione

1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione (PubChem CID 58218130) has the molecular formula C16H19BrN2O4S and a molecular weight of 415.31 g/mol. Its IUPAC name is 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione
PubChem CID58218130
Molecular FormulaC16H19BrN2O4S
Molecular Weight415.31 g/mol
Exact Mass414.02
IUPAC Name1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1Br
InChIInChI=1S/C16H19BrN2O4S/c1-12(13-5-2-3-6-14(13)17)11-24(22,23)10-4-8-19-9-7-15(20)18-16(19)21/h2-3,5-7,9,12H,4,8,10-11H2,1H3,(H,18,20,21)/t12-/m0/s1
InChIKeyRIRAVADQLGDPPM-LBPRGKRZSA-N
XLogP1.91
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2R)-2-(2-chlorophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione
CID 58218520
1-[5-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentyl]pyrimidine-2,4-dione
CID 135219931
3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propane-1-sulfonamide
CID 44544760
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428
1-[5-[(2R)-2-(3-cyclopentyloxyphenyl)propyl]sulfonylpentyl]pyrimidine-2,4-dione
CID 58218256
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)phenyl]propyl]sulfonylpentyl]pyrimidine-2,4-dione
CID 58218164
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364
3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide
CID 44544654
1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione
CID 142399923
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-[3-[(2R)-2-[3-[(2S)-butan-2-yl]oxyphenyl]propyl]sulfonylpropoxymethyl]pyrimidine-2,4-dione
CID 58218473
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063761

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione (CID 58218130) is 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione is C[C@@H](CS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1Br.
What is the InChIKey of 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione?
The InChIKey is RIRAVADQLGDPPM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19BrN2O4S/c1-12(13-5-2-3-6-14(13)17)11-24(22,23)10-4-8-19-9-7-15(20)18-16(19)21/h2-3,5-7,9,12H,4,8,10-11H2,1H3,(H,18,20,21)/t12-/m0/s1.
What are the key properties of 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione?
1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione has a molecular weight of 415.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 58218130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).