3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one

C17H18N2O2S2 — CID 35200708

IUPAC3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCCOc2cccc(C)c2)nc2ccsc2c1=O
InChIInChI=1S/C17H18N2O2S2/c1-3-19-16(20)15-14(7-9-22-15)18-17(19)23-10-8-21-13-6-4-5-12(2)11-13/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyDGJGXMSPNUSFFP-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.96
Rot. Bonds6

About 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 35200708) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID35200708
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCCOc2cccc(C)c2)nc2ccsc2c1=O
InChIInChI=1S/C17H18N2O2S2/c1-3-19-16(20)15-14(7-9-22-15)18-17(19)23-10-8-21-13-6-4-5-12(2)11-13/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyDGJGXMSPNUSFFP-UHFFFAOYSA-N
XLogP3.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.96
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

3-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35200083
2-[2-(2-chlorophenoxy)ethylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 35200691
3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one
CID 3484012
2-[3-(4-chlorophenoxy)propylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 55574766
4-ethyl-3-[2-(3-methylphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
CID 112774267
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 46567859
1-[2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 38663357
N-(2,4-dimethylphenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198569
3-ethyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35206896
2-[3-(2-methoxyethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 46921831
N-cyclopropyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198363
2-[2-(3-methylphenoxy)ethylsulfanyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 23613732

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one (CID 35200708) is 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one is CCn1c(SCCOc2cccc(C)c2)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is DGJGXMSPNUSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-3-19-16(20)15-14(7-9-22-15)18-17(19)23-10-8-21-13-6-4-5-12(2)11-13/h4-7,9,11H,3,8,10H2,1-2H3.
What are the key properties of 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 346.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 35200708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).