2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

C15H24N4O5S — CID 137293766

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N4O5S/c1-9-12(15(21)17-10(2)16-9)5-14(20)18-13-7-24-6-11(13)8-25(22,23)19(3)4/h11,13H,5-8H2,1-4H3,(H,18,20)(H,16,17,21)/t11-,13-/m0/s1
InChIKeyWRGTUQAFTRGNRJ-AAEUAGOBSA-N
MW372.45 g/mol
LogP-1.05
Rot. Bonds6

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide (PubChem CID 137293766) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
PubChem CID137293766
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N4O5S/c1-9-12(15(21)17-10(2)16-9)5-14(20)18-13-7-24-6-11(13)8-25(22,23)19(3)4/h11,13H,5-8H2,1-4H3,(H,18,20)(H,16,17,21)/t11-,13-/m0/s1
InChIKeyWRGTUQAFTRGNRJ-AAEUAGOBSA-N
XLogP-1.05
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide (CID 137293766) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide is Cc1nc(C)c(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The InChIKey is WRGTUQAFTRGNRJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H24N4O5S/c1-9-12(15(21)17-10(2)16-9)5-14(20)18-13-7-24-6-11(13)8-25(22,23)19(3)4/h11,13H,5-8H2,1-4H3,(H,18,20)(H,16,17,21)/t11-,13-/m0/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide has a molecular weight of 372.45 g/mol, XLogP of -1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 137293766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).