ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C20H20N4O5S — CID 42892906

IUPACethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(Cn2cnc3sc(C)c(C)c3c2=O)NC(=O)NC1c1ccco1
InChIInChI=1S/C20H20N4O5S/c1-4-28-19(26)15-12(22-20(27)23-16(15)13-6-5-7-29-13)8-24-9-21-17-14(18(24)25)10(2)11(3)30-17/h5-7,9,16H,4,8H2,1-3H3,(H2,22,23,27)
InChIKeySTWRBEBXYQKXFV-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.54
Rot. Bonds5

About ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 42892906) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID42892906
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Nameethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(Cn2cnc3sc(C)c(C)c3c2=O)NC(=O)NC1c1ccco1
InChIInChI=1S/C20H20N4O5S/c1-4-28-19(26)15-12(22-20(27)23-16(15)13-6-5-7-29-13)8-24-9-21-17-14(18(24)25)10(2)11(3)30-17/h5-7,9,16H,4,8H2,1-3H3,(H2,22,23,27)
InChIKeySTWRBEBXYQKXFV-UHFFFAOYSA-N
XLogP2.54
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(furan-2-yl)-6-[(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46606307
ethyl (4S)-6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 35115305
ethyl 4-(furan-2-yl)-2-oxo-6-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46608802
ethyl 6-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55402199
ethyl 6-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46607355
ethyl 6-[(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46829040
ethyl 4-(5-methylfuran-2-yl)-6-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42952379
ethyl (4R)-6-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 39983716
ethyl 6-(benzoyloxymethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55397504
ethyl (4S)-6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 26569496
ethyl (4R)-6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 26569500
[5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 55568683

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 42892906) is ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(Cn2cnc3sc(C)c(C)c3c2=O)NC(=O)NC1c1ccco1.
What is the InChIKey of ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is STWRBEBXYQKXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-4-28-19(26)15-12(22-20(27)23-16(15)13-6-5-7-29-13)8-24-9-21-17-14(18(24)25)10(2)11(3)30-17/h5-7,9,16H,4,8H2,1-3H3,(H2,22,23,27).
What are the key properties of ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 428.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 42892906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).