5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

C16H20F2N4O4S — CID 122575396

IUPAC5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(C(F)F)c(CN3CCNC3=O)sc2n(CCOC)c1=O
InChIInChI=1S/C16H20F2N4O4S/c1-3-21-13(23)11-10(12(17)18)9(8-20-5-4-19-15(20)24)27-14(11)22(16(21)25)6-7-26-2/h12H,3-8H2,1-2H3,(H,19,24)
InChIKeyMZSDJRYAJBFOLA-UHFFFAOYSA-N
MW402.42 g/mol
LogP1.35
Rot. Bonds7

About 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 122575396) has the molecular formula C16H20F2N4O4S and a molecular weight of 402.42 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID122575396
Molecular FormulaC16H20F2N4O4S
Molecular Weight402.42 g/mol
Exact Mass402.12
IUPAC Name5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(C(F)F)c(CN3CCNC3=O)sc2n(CCOC)c1=O
InChIInChI=1S/C16H20F2N4O4S/c1-3-21-13(23)11-10(12(17)18)9(8-20-5-4-19-15(20)24)27-14(11)22(16(21)25)6-7-26-2/h12H,3-8H2,1-2H3,(H,19,24)
InChIKeyMZSDJRYAJBFOLA-UHFFFAOYSA-N
XLogP1.35
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimidazolidin-1-yl)methyl]-3-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134318488
1-(2-methoxyethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384614
2-[3-ethyl-5-methyl-2,4-dioxo-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-1-yl]acetonitrile
CID 134318479
1-(2-ethoxyethyl)-5-methyl-3-(2-methylpropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134305490
3-ethyl-1-(2-methoxyethyl)-5-methyl-6-[(4-methyl-2-sulfanylideneimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 122575125
3-ethyl-6-[[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 122574656
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
3-(2,2-dimethylpropyl)-1-(3-fluoropropyl)-5-methyl-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 122575179
3-ethyl-1-(2-methoxyethyl)-5-methyl-6-[(4-methyl-2-oxo-1H-imidazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 122574705
6-[(2,3-dioxopiperazin-1-yl)methyl]-3-(3-methoxycyclobutyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134384695
1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134367522
1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 122574962

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (CID 122575396) is 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2c(C(F)F)c(CN3CCNC3=O)sc2n(CCOC)c1=O.
What is the InChIKey of 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MZSDJRYAJBFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O4S/c1-3-21-13(23)11-10(12(17)18)9(8-20-5-4-19-15(20)24)27-14(11)22(16(21)25)6-7-26-2/h12H,3-8H2,1-2H3,(H,19,24).
What are the key properties of 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 402.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-ethyl-1-(2-methoxyethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 122575396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).