ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

C17H20N2O5S — CID 11911050

IUPACethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc([C@H](C)OC(=O)[C@H]3C[C@@H]3C)[nH]c(=O)c2c1C
InChIInChI=1S/C17H20N2O5S/c1-5-23-17(22)12-8(3)11-14(20)18-13(19-15(11)25-12)9(4)24-16(21)10-6-7(10)2/h7,9-10H,5-6H2,1-4H3,(H,18,19,20)/t7-,9-,10-/m0/s1
InChIKeyOWTAWINSUGGBSX-HGNGGELXSA-N
MW364.42 g/mol
LogP2.73
Rot. Bonds5

About ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 11911050) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID11911050
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Nameethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc([C@H](C)OC(=O)[C@H]3C[C@@H]3C)[nH]c(=O)c2c1C
InChIInChI=1S/C17H20N2O5S/c1-5-23-17(22)12-8(3)11-14(20)18-13(19-15(11)25-12)9(4)24-16(21)10-6-7(10)2/h7,9-10H,5-6H2,1-4H3,(H,18,19,20)/t7-,9-,10-/m0/s1
InChIKeyOWTAWINSUGGBSX-HGNGGELXSA-N
XLogP2.73
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 2-[(1S)-1-(cyclopentanecarbonyloxy)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7932820
ethyl 2-[(1R)-1-(2-methoxyacetyl)oxyethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7649363
ethyl 2-[(1R)-1-(3,5-dimethylbenzoyl)oxyethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7932891
ethyl 2-[(1S)-1-(4-methoxybenzoyl)oxyethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7374659
ethyl 5-methyl-2-[(1S)-1-(2-methylbenzoyl)oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7247427
ethyl 5-methyl-2-[1-(3-methylthiophene-2-carbonyl)oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 18777666
ethyl 5-methyl-2-[(1R)-1-(2-methylbenzoyl)oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7247426
ethyl 5-methyl-4-oxo-2-[(1R)-1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]oxyethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 40794851
ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7648059
cycloheptyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium
CID 8853346
ethyl 5-methyl-4-oxo-2-[(1S)-1-(2-phenoxyacetyl)oxyethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7932740
ethyl 2-[(1R)-1-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 11930090

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 11911050) is ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc([C@H](C)OC(=O)[C@H]3C[C@@H]3C)[nH]c(=O)c2c1C.
What is the InChIKey of ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is OWTAWINSUGGBSX-HGNGGELXSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-5-23-17(22)12-8(3)11-14(20)18-13(19-15(11)25-12)9(4)24-16(21)10-6-7(10)2/h7,9-10H,5-6H2,1-4H3,(H,18,19,20)/t7-,9-,10-/m0/s1.
What are the key properties of ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(1S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 11911050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).