[5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone

C22H31N3O2S — CID 1187953

IUPAC[5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone
SMILESCc1sc2c(c1C)CN(C1CC(C)(C)NC(C)(C)C1)CN2C(=O)c1ccco1
InChIInChI=1S/C22H31N3O2S/c1-14-15(2)28-20-17(14)12-24(13-25(20)19(26)18-8-7-9-27-18)16-10-21(3,4)23-22(5,6)11-16/h7-9,16,23H,10-13H2,1-6H3
InChIKeySSBBPQLERABJBC-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.69
Rot. Bonds2

About [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone

[5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone (PubChem CID 1187953) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone
PubChem CID1187953
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name[5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone
SMILESCc1sc2c(c1C)CN(C1CC(C)(C)NC(C)(C)C1)CN2C(=O)c1ccco1
InChIInChI=1S/C22H31N3O2S/c1-14-15(2)28-20-17(14)12-24(13-25(20)19(26)18-8-7-9-27-18)16-10-21(3,4)23-22(5,6)11-16/h7-9,16,23H,10-13H2,1-6H3
InChIKeySSBBPQLERABJBC-UHFFFAOYSA-N
XLogP4.69
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[3-(1,1-dioxothiolan-3-yl)-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone
CID 4294558
[5,6-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-(furan-2-yl)methanone
CID 7164243
[4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 20913238
furan-2-yl-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 962580
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 115269514
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
(2,2-dimethyl-1,4-diazepan-1-yl)-(furan-2-yl)methanone
CID 82242304
(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
CID 63911769
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone (CID 1187953) is [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone is Cc1sc2c(c1C)CN(C1CC(C)(C)NC(C)(C)C1)CN2C(=O)c1ccco1.
What is the InChIKey of [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SSBBPQLERABJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-14-15(2)28-20-17(14)12-24(13-25(20)19(26)18-8-7-9-27-18)16-10-21(3,4)23-22(5,6)11-16/h7-9,16,23H,10-13H2,1-6H3.
What are the key properties of [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone?
[5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 401.58 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1187953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).