6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C12H16N2O4S — CID 122574685

IUPAC6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2c(C)c(CO)sc21
InChIInChI=1S/C12H16N2O4S/c1-7-8(6-15)19-11-9(7)10(16)13(2)12(17)14(11)4-5-18-3/h15H,4-6H2,1-3H3
InChIKeyBNSXWVUCIXHFNS-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.21
Rot. Bonds4

About 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 122574685) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID122574685
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2c(C)c(CO)sc21
InChIInChI=1S/C12H16N2O4S/c1-7-8(6-15)19-11-9(7)10(16)13(2)12(17)14(11)4-5-18-3/h15H,4-6H2,1-3H3
InChIKeyBNSXWVUCIXHFNS-UHFFFAOYSA-N
XLogP0.21
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(hydroxymethyl)-1-(2-methoxyethyl)-3-(2-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 122574676
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
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
[1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-propylthieno[2,3-d]pyrimidin-6-yl] hydrogen carbonate
CID 118010974
3-(3-methoxycyclobutyl)-1-(2-methoxyethyl)-5-methyl-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384959
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-aminoethylamino)methyl]-3-cyclopentyl-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134366599
1-(2-methoxyethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384614
tert-butyl N-[[3-cyclopentyl-1-(2-methoxyethyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methylamino]carbamate
CID 134366518
1-(2-methoxyethyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione
CID 137026524
6-[(2-aminoethylamino)methyl]-3-(2,2-difluoroethyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 122575533
6-[(2-aminoethylamino)methyl]-3-(2-methoxycyclopropyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134366477

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 122574685) is 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(C)c(=O)c2c(C)c(CO)sc21.
What is the InChIKey of 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BNSXWVUCIXHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7-8(6-15)19-11-9(7)10(16)13(2)12(17)14(11)4-5-18-3/h15H,4-6H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 284.34 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1-(2-methoxyethyl)-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 122574685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).