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

C20H24N2O2S — CID 28692570

IUPAC6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CCCCOc3ccccc3C)c(C)nc2s1
InChIInChI=1S/C20H24N2O2S/c1-4-16-13-17-19(25-16)21-15(3)22(20(17)23)11-7-8-12-24-18-10-6-5-9-14(18)2/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3
InChIKeyRFLQUZNMZQZHRG-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.50
Rot. Bonds7

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

6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 28692570) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID28692570
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CCCCOc3ccccc3C)c(C)nc2s1
InChIInChI=1S/C20H24N2O2S/c1-4-16-13-17-19(25-16)21-15(3)22(20(17)23)11-7-8-12-24-18-10-6-5-9-14(18)2/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3
InChIKeyRFLQUZNMZQZHRG-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-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 28692564
ethyl 3-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692467
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
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
N-butyl-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 28692371
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 12820924
3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
CID 6421611
2-(6-ethyl-4-oxo-2-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 39158813
(2S)-2-[6-ethyl-3-(3-methoxypropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 7739689
3-[3-(2-methylphenoxy)propyl]-1,3-benzothiazol-2-one
CID 3157897

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one (CID 28692570) is 6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CCCCOc3ccccc3C)c(C)nc2s1.
What is the InChIKey of 6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RFLQUZNMZQZHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-16-13-17-19(25-16)21-15(3)22(20(17)23)11-7-8-12-24-18-10-6-5-9-14(18)2/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3.
What are the key properties of 6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-methyl-3-[4-(2-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-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28692570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).