ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate

C20H26N4O5S — CID 5203978

IUPACethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c2c1C
InChIInChI=1S/C20H26N4O5S/c1-4-29-15(26)9-21-18(27)17-13(3)16-19(30-17)22-11-24(20(16)28)10-14(25)23-7-5-12(2)6-8-23/h11-12H,4-10H2,1-3H3,(H,21,27)
InChIKeyRGRKYJZTVGPNHJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP1.32
Rot. Bonds6

About ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate

ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate (PubChem CID 5203978) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
PubChem CID5203978
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Nameethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c2c1C
InChIInChI=1S/C20H26N4O5S/c1-4-29-15(26)9-21-18(27)17-13(3)16-19(30-17)22-11-24(20(16)28)10-14(25)23-7-5-12(2)6-8-23/h11-12H,4-10H2,1-3H3,(H,21,27)
InChIKeyRGRKYJZTVGPNHJ-UHFFFAOYSA-N
XLogP1.32
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate with MolForge

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Related Compounds

cyclohexyl 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 1412596
N-(2,2-diethoxyethyl)-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 46374566
5-methyl-6-(4-methylpiperidine-1-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 22330657
ethyl 5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 1078234
ethyl 3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 8809449
ethyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 35986456
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3329389
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 3579465
N-butyl-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5240345
cyclohexyl 3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 40865448
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3604620
5,6-dimethyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 18148112

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate (CID 5203978) is ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c2c1C.
What is the InChIKey of ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate?
The InChIKey is RGRKYJZTVGPNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-4-29-15(26)9-21-18(27)17-13(3)16-19(30-17)22-11-24(20(16)28)10-14(25)23-7-5-12(2)6-8-23/h11-12H,4-10H2,1-3H3,(H,21,27).
What are the key properties of ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate?
ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate has a molecular weight of 434.52 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate is sourced from PubChem (CID 5203978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).