1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C17H27N3O7S — CID 168757121

IUPAC1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@@H]1[C@H](OC(C)C)[C@@H](CN2CCCS2(=O)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H27N3O7S/c1-10(2)26-13-12(9-19-6-5-7-28(19,23)24)27-16(14(13)25-4)20-8-11(3)15(21)18-17(20)22/h8,10,12-14,16H,5-7,9H2,1-4H3,(H,18,21,22)/t12-,13-,14-,16-/m1/s1
InChIKeyYBCKKUVQZBATGA-IXYNUQLISA-N
MW417.48 g/mol
LogP-0.41
Rot. Bonds6

About 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 168757121) has the molecular formula C17H27N3O7S and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID168757121
Molecular FormulaC17H27N3O7S
Molecular Weight417.48 g/mol
Exact Mass417.16
IUPAC Name1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@@H]1[C@H](OC(C)C)[C@@H](CN2CCCS2(=O)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H27N3O7S/c1-10(2)26-13-12(9-19-6-5-7-28(19,23)24)27-16(14(13)25-4)20-8-11(3)15(21)18-17(20)22/h8,10,12-14,16H,5-7,9H2,1-4H3,(H,18,21,22)/t12-,13-,14-,16-/m1/s1
InChIKeyYBCKKUVQZBATGA-IXYNUQLISA-N
XLogP-0.41
TPSA119.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide
CID 167509202
1-[(2R,5S)-4,5-bis(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 163539028
1-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 155887099
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3S)-3-methoxybutan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67961716
1-[(2R,5R)-5-ethyl-3-methoxy-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174076442
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2R)-2-methoxycyclopentyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118262425
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2R)-2-methoxycyclopentyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 70853068
1-[(2R,3R,4R,5R)-5-[(1S)-1-deuterioethyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88880674
[hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methylphosphonic acid
CID 155537750
4-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 90136209
1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxypropylperoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 87185138

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 168757121) is 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is CO[C@@H]1[C@H](OC(C)C)[C@@H](CN2CCCS2(=O)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is YBCKKUVQZBATGA-IXYNUQLISA-N. The full InChI is InChI=1S/C17H27N3O7S/c1-10(2)26-13-12(9-19-6-5-7-28(19,23)24)27-16(14(13)25-4)20-8-11(3)15(21)18-17(20)22/h8,10,12-14,16H,5-7,9H2,1-4H3,(H,18,21,22)/t12-,13-,14-,16-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 417.48 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 168757121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).