3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one

C21H26N2O2S — CID 28692529

IUPAC3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CCOc3ccc(C(C)(C)C)cc3)c(C)nc2s1
InChIInChI=1S/C21H26N2O2S/c1-6-17-13-18-19(26-17)22-14(2)23(20(18)24)11-12-25-16-9-7-15(8-10-16)21(3,4)5/h7-10,13H,6,11-12H2,1-5H3
InChIKeyGKDNBUDNNAKZMJ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.71
Rot. Bonds5

About 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one

3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 28692529) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID28692529
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CCOc3ccc(C(C)(C)C)cc3)c(C)nc2s1
InChIInChI=1S/C21H26N2O2S/c1-6-17-13-18-19(26-17)22-14(2)23(20(18)24)11-12-25-16-9-7-15(8-10-16)21(3,4)5/h7-10,13H,6,11-12H2,1-5H3
InChIKeyGKDNBUDNNAKZMJ-UHFFFAOYSA-N
XLogP4.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 28692564
6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 28692570
3-[2-(4-aminophenoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 94751726
4-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethoxy]benzonitrile
CID 35380492
3-[3-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]propanoic acid
CID 82032938
ethyl 4-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692459
6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one
CID 28692485
3-[2-(4-tert-butylphenoxy)ethyl]-2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 39109890
2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 12820924
ethyl 3-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692467
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28692105
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one (CID 28692529) is 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CCOc3ccc(C(C)(C)C)cc3)c(C)nc2s1.
What is the InChIKey of 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is GKDNBUDNNAKZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-6-17-13-18-19(26-17)22-14(2)23(20(18)24)11-12-25-16-9-7-15(8-10-16)21(3,4)5/h7-10,13H,6,11-12H2,1-5H3.
What are the key properties of 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one?
3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 370.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28692529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).