6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one

C15H20N2O2S — CID 19244979

IUPAC6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCCCCCn1cnc2sc(C(C)=O)c(C)c2c1=O
InChIInChI=1S/C15H20N2O2S/c1-4-5-6-7-8-17-9-16-14-12(15(17)19)10(2)13(20-14)11(3)18/h9H,4-8H2,1-3H3
InChIKeyZGYUBFBMOLFXEX-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.55
Rot. Bonds6

About 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one

6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 19244979) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID19244979
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCCCCCn1cnc2sc(C(C)=O)c(C)c2c1=O
InChIInChI=1S/C15H20N2O2S/c1-4-5-6-7-8-17-9-16-14-12(15(17)19)10(2)13(20-14)11(3)18/h9H,4-8H2,1-3H3
InChIKeyZGYUBFBMOLFXEX-UHFFFAOYSA-N
XLogP3.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.55
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-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19245001
6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244967
6-acetyl-3-(2-bromoethyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244986
6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 19244973
hexyl 2-(6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 23410962
3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23410645
ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
CID 6618555
(4-ethoxyphenyl) 5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxylate
CID 15998645
3-(2-cyanoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39159078
ethyl 5-methyl-4-oxo-3-[2-(4-propoxyphenoxy)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 8535164
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one
CID 61387977

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one (CID 19244979) is 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one is CCCCCCn1cnc2sc(C(C)=O)c(C)c2c1=O.
What is the InChIKey of 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZGYUBFBMOLFXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-5-6-7-8-17-9-16-14-12(15(17)19)10(2)13(20-14)11(3)18/h9H,4-8H2,1-3H3.
What are the key properties of 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one?
6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19244979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).