6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one

C20H24N2O2S — CID 28692564

IUPAC6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CCCCOc3cccc(C)c3)c(C)nc2s1
InChIInChI=1S/C20H24N2O2S/c1-4-17-13-18-19(25-17)21-15(3)22(20(18)23)10-5-6-11-24-16-9-7-8-14(2)12-16/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyUSLNJAAGZPRGMW-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.50
Rot. Bonds7

About 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 28692564) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID28692564
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CCCCOc3cccc(C)c3)c(C)nc2s1
InChIInChI=1S/C20H24N2O2S/c1-4-17-13-18-19(25-17)21-15(3)22(20(18)23)10-5-6-11-24-16-9-7-8-14(2)12-16/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyUSLNJAAGZPRGMW-UHFFFAOYSA-N
XLogP4.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 28692570
3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one
CID 28692529
3-[3-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]propanoic acid
CID 82032938
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-[4-(3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802299
N-butyl-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 28692371
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one
CID 28692485
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 12820924
6-bromo-1-[4-(3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802954

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one (CID 28692564) is 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CCCCOc3cccc(C)c3)c(C)nc2s1.
What is the InChIKey of 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is USLNJAAGZPRGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-17-13-18-19(25-17)21-15(3)22(20(18)23)10-5-6-11-24-16-9-7-8-14(2)12-16/h7-9,12-13H,4-6,10-11H2,1-3H3.
What are the key properties of 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 356.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28692564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).