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

C21H29N5O6S — CID 134385023

IUPACmethyl 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
SMILESCOCCn1c(=O)n(C2CC(OC)C2)c(=O)c2c(C)c(CN3CCN=C3NC(=O)OC)sc21
InChIInChI=1S/C21H29N5O6S/c1-12-15(11-24-6-5-22-19(24)23-20(28)32-4)33-18-16(12)17(27)26(13-9-14(10-13)31-3)21(29)25(18)7-8-30-2/h13-14H,5-11H2,1-4H3,(H,22,23,28)
InChIKeyKUISUZQEJIXOOD-UHFFFAOYSA-N
MW479.56 g/mol
LogP1.06
Rot. Bonds7

About 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

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 (PubChem CID 134385023) has the molecular formula C21H29N5O6S and a molecular weight of 479.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID134385023
Molecular FormulaC21H29N5O6S
Molecular Weight479.56 g/mol
Exact Mass479.18
IUPAC Namemethyl 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
SMILESCOCCn1c(=O)n(C2CC(OC)C2)c(=O)c2c(C)c(CN3CCN=C3NC(=O)OC)sc21
InChIInChI=1S/C21H29N5O6S/c1-12-15(11-24-6-5-22-19(24)23-20(28)32-4)33-18-16(12)17(27)26(13-9-14(10-13)31-3)21(29)25(18)7-8-30-2/h13-14H,5-11H2,1-4H3,(H,22,23,28)
InChIKeyKUISUZQEJIXOOD-UHFFFAOYSA-N
XLogP1.06
TPSA116.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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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
6-[(2,3-dioxopiperazin-1-yl)methyl]-3-(3-methoxycyclobutyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134384695
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
3-(3-methoxycyclobutyl)-1-(2-methoxyethyl)-5-methyl-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384959
1-(2-methoxyethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384614
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
tert-butyl N-[[3-cyclopentyl-1-(2-methoxyethyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methylamino]carbamate
CID 134366518
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
6-[(2-aminoethylamino)methyl]-3-cyclopentyl-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134366599
tert-butyl N-[carbamoyl-[[3-(2-methoxycyclopropyl)-1-(2-methoxyethyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methyl]amino]carbamate
CID 134385036
tert-butyl 2-[[3-cyclopentyl-1-(2-methoxyethyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methylamino]acetate
CID 158119325
6-[(2-tert-butylhydrazinyl)methyl]-3-(3-methoxycyclobutyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 159447449

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCn1c(=O)n(C2CC(OC)C2)c(=O)c2c(C)c(CN3CCN=C3NC(=O)OC)sc21.
What is the InChIKey of 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?
The InChIKey is KUISUZQEJIXOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O6S/c1-12-15(11-24-6-5-22-19(24)23-20(28)32-4)33-18-16(12)17(27)26(13-9-14(10-13)31-3)21(29)25(18)7-8-30-2/h13-14H,5-11H2,1-4H3,(H,22,23,28).
What are the key properties of 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?
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 has a molecular weight of 479.56 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134385023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).