methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate

C18H19F6N5O4S — CID 122575472

IUPACmethyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCCN1Cc1sc2c(c1C)c(=O)n(CC(F)(F)F)c(=O)n2CCC(F)(F)F
InChIInChI=1S/C18H19F6N5O4S/c1-9-10(7-27-6-4-25-14(27)26-15(31)33-2)34-13-11(9)12(30)29(8-18(22,23)24)16(32)28(13)5-3-17(19,20)21/h3-8H2,1-2H3,(H,25,26,31)
InChIKeyCPLOUASRVWKUDZ-UHFFFAOYSA-N
MW515.44 g/mol
LogP2.58
Rot. Bonds5

About methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate

methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate (PubChem CID 122575472) has the molecular formula C18H19F6N5O4S and a molecular weight of 515.44 g/mol. Its IUPAC name is methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate
PubChem CID122575472
Molecular FormulaC18H19F6N5O4S
Molecular Weight515.44 g/mol
Exact Mass515.11
IUPAC Namemethyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCCN1Cc1sc2c(c1C)c(=O)n(CC(F)(F)F)c(=O)n2CCC(F)(F)F
InChIInChI=1S/C18H19F6N5O4S/c1-9-10(7-27-6-4-25-14(27)26-15(31)33-2)34-13-11(9)12(30)29(8-18(22,23)24)16(32)28(13)5-3-17(19,20)21/h3-8H2,1-2H3,(H,25,26,31)
InChIKeyCPLOUASRVWKUDZ-UHFFFAOYSA-N
XLogP2.58
TPSA97.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-[[3-(3,3-difluorocyclobutyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate
CID 134366537
methyl N-[1-[[3-(3-methoxycyclobutyl)-1-(2-methoxyethyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate
CID 134385023
tert-butyl N-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methylamino]carbamate
CID 134322320
methyl 2-[[1-[[5-methyl-3-[3-methyl-3-(methylidene-λ3-iodanyl)cyclobutyl]-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]amino]acetate
CID 163501944
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
tert-butyl N-[3-ethoxyprop-2-enoyl-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]amino]carbamate
CID 140848227
6-[(5-amino-6-methylidene-2,3-dihydropyrazin-1-yl)methyl]-5-methyl-1-(oxetan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 162597109
6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134322385
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
tert-butyl-[3-ethoxyprop-2-enoyl-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]amino]carbamic acid
CID 122574969
5-methyl-3-[(1-methylcyclopropyl)methyl]-6-[(2-methylhydrazinyl)methyl]-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134312639
tert-butyl-[[3-ethyl-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methylamino]carbamic acid
CID 122574919

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate (CID 122575472) is methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate is COC(=O)NC1=NCCN1Cc1sc2c(c1C)c(=O)n(CC(F)(F)F)c(=O)n2CCC(F)(F)F.
What is the InChIKey of methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate?
The InChIKey is CPLOUASRVWKUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F6N5O4S/c1-9-10(7-27-6-4-25-14(27)26-15(31)33-2)34-13-11(9)12(30)29(8-18(22,23)24)16(32)28(13)5-3-17(19,20)21/h3-8H2,1-2H3,(H,25,26,31).
What are the key properties of methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate?
methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate has a molecular weight of 515.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4,5-dihydroimidazol-2-yl]carbamate is sourced from PubChem (CID 122575472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).