6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione

C17H23N3O3S — CID 24757214

IUPAC6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC[C@H]1COC(c2sc3c(c2C)c(=O)n(CC(C)C)c(=O)n3C)=N1
InChIInChI=1S/C17H23N3O3S/c1-6-11-8-23-14(18-11)13-10(4)12-15(21)20(7-9(2)3)17(22)19(5)16(12)24-13/h9,11H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyFMGXGQAJAYPVAB-NSHDSACASA-N
MW349.46 g/mol
LogP2.28
Rot. Bonds4

About 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione

6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 24757214) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID24757214
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC[C@H]1COC(c2sc3c(c2C)c(=O)n(CC(C)C)c(=O)n3C)=N1
InChIInChI=1S/C17H23N3O3S/c1-6-11-8-23-14(18-11)13-10(4)12-15(21)20(7-9(2)3)17(22)19(5)16(12)24-13/h9,11H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyFMGXGQAJAYPVAB-NSHDSACASA-N
XLogP2.28
TPSA65.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1,5-dimethyl-6-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 24757137
1,5-dimethyl-6-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-3-propylthieno[2,3-d]pyrimidine-2,4-dione
CID 69321223
1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 24757308
1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 24757306
6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 122543915
3-methyl-1-(2-methylpropyl)-2,4-dioxo-5-propan-2-ylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde
CID 18366573
6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 131737210
1-(2,2-difluoroethyl)-5-methyl-3-(2-methylpropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134305558
5-methyl-3-(2-methylpropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]-1-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 122574846
3-(3-hydroxypropyl)-1,5-dimethyl-6-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 118863150
1-(2-ethoxyethyl)-5-methyl-3-(2-methylpropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134305490
4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole
CID 6618936

Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 24757214) is 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione is CC[C@H]1COC(c2sc3c(c2C)c(=O)n(CC(C)C)c(=O)n3C)=N1.
What is the InChIKey of 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FMGXGQAJAYPVAB-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-6-11-8-23-14(18-11)13-10(4)12-15(21)20(7-9(2)3)17(22)19(5)16(12)24-13/h9,11H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 349.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-dimethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 24757214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).