1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

C17H21FN4O3S — CID 134367522

IUPAC1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(CN2CCNC2=O)sc2c1c(=O)n(C1CC1C)c(=O)n2CCF
InChIInChI=1S/C17H21FN4O3S/c1-9-7-11(9)22-14(23)13-10(2)12(8-20-6-4-19-16(20)24)26-15(13)21(5-3-18)17(22)25/h9,11H,3-8H2,1-2H3,(H,19,24)
InChIKeyFYIDCLRIFXPQNA-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.61
Rot. Bonds5

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

1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 134367522) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID134367522
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(CN2CCNC2=O)sc2c1c(=O)n(C1CC1C)c(=O)n2CCF
InChIInChI=1S/C17H21FN4O3S/c1-9-7-11(9)22-14(23)13-10(2)12(8-20-6-4-19-16(20)24)26-15(13)21(5-3-18)17(22)25/h9,11H,3-8H2,1-2H3,(H,19,24)
InChIKeyFYIDCLRIFXPQNA-UHFFFAOYSA-N
XLogP1.61
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384614
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
5-methyl-3-(2-methylcyclopropyl)-6-(1,3,6-oxadiazepan-3-ylmethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134385083
6-[(2-aminoethylamino)methyl]-1-(3-fluoropropyl)-5-methyl-3-(2-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134384735
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
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
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
6-[(2,3-dioxopiperazin-1-yl)methyl]-3-(3-methoxycyclobutyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134384695
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
5-methyl-3-(2-methylpropyl)-6-[(2-sulfanylideneimidazolidin-1-yl)methyl]-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 122575017
3-(2,2-dimethylpropyl)-5-methyl-6-[(2-methyliminoimidazolidin-1-yl)methyl]-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 137276752

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (CID 134367522) is 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is Cc1c(CN2CCNC2=O)sc2c1c(=O)n(C1CC1C)c(=O)n2CCF.
What is the InChIKey of 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FYIDCLRIFXPQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-9-7-11(9)22-14(23)13-10(2)12(8-20-6-4-19-16(20)24)26-15(13)21(5-3-18)17(22)25/h9,11H,3-8H2,1-2H3,(H,19,24).
What are the key properties of 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 380.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134367522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).