(5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

C17H19N5O5S — CID 11553220

IUPAC(5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ncc(C#CC2=CCN(S(=O)(=O)C[C@@]3(C)NC(=O)NC3=O)CC2)cn1
InChIInChI=1S/C17H19N5O5S/c1-17(14(23)20-15(24)21-17)11-28(25,26)22-7-5-12(6-8-22)3-4-13-9-18-16(27-2)19-10-13/h5,9-10H,6-8,11H2,1-2H3,(H2,20,21,23,24)/t17-/m1/s1
InChIKeyFOMCXLUGQYELNG-QGZVFWFLSA-N
MW405.44 g/mol
LogP-0.60
Rot. Bonds4

About (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 11553220) has the molecular formula C17H19N5O5S and a molecular weight of 405.44 g/mol. Its IUPAC name is (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID11553220
Molecular FormulaC17H19N5O5S
Molecular Weight405.44 g/mol
Exact Mass405.11
IUPAC Name(5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ncc(C#CC2=CCN(S(=O)(=O)C[C@@]3(C)NC(=O)NC3=O)CC2)cn1
InChIInChI=1S/C17H19N5O5S/c1-17(14(23)20-15(24)21-17)11-28(25,26)22-7-5-12(6-8-22)3-4-13-9-18-16(27-2)19-10-13/h5,9-10H,6-8,11H2,1-2H3,(H2,20,21,23,24)/t17-/m1/s1
InChIKeyFOMCXLUGQYELNG-QGZVFWFLSA-N
XLogP-0.60
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methyl-5-[[4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 67351634
5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 68877429
(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794396
(5S)-5-[[4-[2-(4-chlorophenyl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;(5S)-5-methyl-5-[[4-[2-(4-methylphenyl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione;(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 160879627
5-methyl-5-[[4-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 68876824
(5S)-5-methyl-5-[[4-[2-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 25171835
6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 23133627
5-[[4-[(5-bromo-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133436
5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133451
4-[1-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperidin-4-yl]oxybenzonitrile
CID 69288611
1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
CID 69288109
(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
CID 87512350

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 11553220) is (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is COc1ncc(C#CC2=CCN(S(=O)(=O)C[C@@]3(C)NC(=O)NC3=O)CC2)cn1.
What is the InChIKey of (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FOMCXLUGQYELNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N5O5S/c1-17(14(23)20-15(24)21-17)11-28(25,26)22-7-5-12(6-8-22)3-4-13-9-18-16(27-2)19-10-13/h5,9-10H,6-8,11H2,1-2H3,(H2,20,21,23,24)/t17-/m1/s1.
What are the key properties of (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 405.44 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 11553220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).