methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

C18H19N3O3S2 — CID 8586182

IUPACmethyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(CN3CCC[C@@H]3c3cccs3)[nH]c(=O)c2c1C
InChIInChI=1S/C18H19N3O3S2/c1-10-14-16(22)19-13(20-17(14)26-15(10)18(23)24-2)9-21-7-3-5-11(21)12-6-4-8-25-12/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,19,20,22)/t11-/m1/s1
InChIKeyUCACKSODMNYODA-LLVKDONJSA-N
MW389.50 g/mol
LogP3.48
Rot. Bonds4

About methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 8586182) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID8586182
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Namemethyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(CN3CCC[C@@H]3c3cccs3)[nH]c(=O)c2c1C
InChIInChI=1S/C18H19N3O3S2/c1-10-14-16(22)19-13(20-17(14)26-15(10)18(23)24-2)9-21-7-3-5-11(21)12-6-4-8-25-12/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,19,20,22)/t11-/m1/s1
InChIKeyUCACKSODMNYODA-LLVKDONJSA-N
XLogP3.48
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-oxo-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-quinazoline-7-carboxylate
CID 135883423
methyl 4-oxo-2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-3H-quinazoline-7-carboxylate
CID 135997925
5-(5-methylthiophen-2-yl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784675
methyl 2-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 11930087
6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714818
methyl 5-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 71909173
methyl 2-benzyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2101791
2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135819516
methyl 2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8602632
methyl 5-methyl-4-oxo-2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2657100
methyl 2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2653604
methyl 2-[[cycloheptyl(methyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 16577817

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 8586182) is methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(CN3CCC[C@@H]3c3cccs3)[nH]c(=O)c2c1C.
What is the InChIKey of methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is UCACKSODMNYODA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-10-14-16(22)19-13(20-17(14)26-15(10)18(23)24-2)9-21-7-3-5-11(21)12-6-4-8-25-12/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,19,20,22)/t11-/m1/s1.
What are the key properties of methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 8586182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).