3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

C15H18FN5O3S — CID 137297194

IUPAC3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(C)c(Cn3nc[nH]c3=O)sc2n(CCCF)c1=O
InChIInChI=1S/C15H18FN5O3S/c1-3-19-12(22)11-9(2)10(7-21-14(23)17-8-18-21)25-13(11)20(15(19)24)6-4-5-16/h8H,3-7H2,1-2H3,(H,17,18,23)
InChIKeyJETCXIVNRWGXCS-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.85
Rot. Bonds6

About 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 137297194) has the molecular formula C15H18FN5O3S and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID137297194
Molecular FormulaC15H18FN5O3S
Molecular Weight367.41 g/mol
Exact Mass367.11
IUPAC Name3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(C)c(Cn3nc[nH]c3=O)sc2n(CCCF)c1=O
InChIInChI=1S/C15H18FN5O3S/c1-3-19-12(22)11-9(2)10(7-21-14(23)17-8-18-21)25-13(11)20(15(19)24)6-4-5-16/h8H,3-7H2,1-2H3,(H,17,18,23)
InChIKeyJETCXIVNRWGXCS-UHFFFAOYSA-N
XLogP0.85
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

3-ethyl-1-(3-methoxypropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 137026480
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
3-ethyl-1-(4-fluorobutyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbaldehyde
CID 134305507
5-methyl-1-(oxolan-2-ylmethyl)-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]-3-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 137026473
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
1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-3-(1-methylcyclopropyl)-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 137277982
3-cyclopropyl-1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 137277972
3-cyclopropyl-1-[(3,3-difluorocyclobutyl)methyl]-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 137288944
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
6-[(2-aminoethylamino)methyl]-3-ethyl-1-(fluoromethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134305386
3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 137288991
6-[(2-aminoethylamino)methyl]-3-ethyl-1-(2-ethylsulfanylethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134305481

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (CID 137297194) is 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2c(C)c(Cn3nc[nH]c3=O)sc2n(CCCF)c1=O.
What is the InChIKey of 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JETCXIVNRWGXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3S/c1-3-19-12(22)11-9(2)10(7-21-14(23)17-8-18-21)25-13(11)20(15(19)24)6-4-5-16/h8H,3-7H2,1-2H3,(H,17,18,23).
What are the key properties of 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluoropropyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 137297194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).