1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone

C18H18N2O3S — CID 112776121

IUPAC1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C18H18N2O3S/c1-11-13(3)24-18-16(11)17(19-10-20-18)23-9-8-22-15-7-5-4-6-14(15)12(2)21/h4-7,10H,8-9H2,1-3H3
InChIKeySALFMNYIWFDCQM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.97
Rot. Bonds6

About 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone

1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone (PubChem CID 112776121) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone
PubChem CID112776121
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C18H18N2O3S/c1-11-13(3)24-18-16(11)17(19-10-20-18)23-9-8-22-15-7-5-4-6-14(15)12(2)21/h4-7,10H,8-9H2,1-3H3
InChIKeySALFMNYIWFDCQM-UHFFFAOYSA-N
XLogP3.97
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
1-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 9212485
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115
4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158
5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 112776113
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
CID 9250705
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
1-[2-[2-(1-phenylethoxy)ethoxy]phenyl]ethanone
CID 62031613

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone (CID 112776121) is 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCOc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone?
The InChIKey is SALFMNYIWFDCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-13(3)24-18-16(11)17(19-10-20-18)23-9-8-22-15-7-5-4-6-14(15)12(2)21/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone?
1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone has a molecular weight of 342.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone is sourced from PubChem (CID 112776121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).