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

C16H21N3O3S — CID 24757137

IUPAC1,5-dimethyl-6-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(C2=NC[C@@H](C)O2)sc2c1c(=O)n(CC(C)C)c(=O)n2C
InChIInChI=1S/C16H21N3O3S/c1-8(2)7-19-14(20)11-10(4)12(13-17-6-9(3)22-13)23-15(11)18(5)16(19)21/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyRJRSFBWAWVWPSE-SECBINFHSA-N
MW335.43 g/mol
LogP1.89
Rot. Bonds3

About 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

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 (PubChem CID 24757137) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,5-dimethyl-6-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID24757137
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1,5-dimethyl-6-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(C2=NC[C@@H](C)O2)sc2c1c(=O)n(CC(C)C)c(=O)n2C
InChIInChI=1S/C16H21N3O3S/c1-8(2)7-19-14(20)11-10(4)12(13-17-6-9(3)22-13)23-15(11)18(5)16(19)21/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyRJRSFBWAWVWPSE-SECBINFHSA-N
XLogP1.89
TPSA65.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 24757308
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-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 24757306
3,7-dimethyl-5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 42928781
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
1-methyl-3-(2-methylpropyl)-8H-purine-2,6-dione
CID 23586066
6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 122543915
1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384965
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C2=NC[C@@H](C)O2)sc2c1c(=O)n(CC(C)C)c(=O)n2C.
What is the InChIKey of 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?
The InChIKey is RJRSFBWAWVWPSE-SECBINFHSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-8(2)7-19-14(20)11-10(4)12(13-17-6-9(3)22-13)23-15(11)18(5)16(19)21/h8-9H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 335.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24757137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).