N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide

C18H27N3O3S — CID 141463438

IUPACN-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCCCCCn1c(=O)n(CC(=O)NCCCC)c(=O)c2scc(C)c21
InChIInChI=1S/C18H27N3O3S/c1-4-6-8-10-20-15-13(3)12-25-16(15)17(23)21(18(20)24)11-14(22)19-9-7-5-2/h12H,4-11H2,1-3H3,(H,19,22)
InChIKeyKSWDBFLGTXPTKQ-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.64
Rot. Bonds9

About N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide

N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 141463438) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID141463438
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCCCCCn1c(=O)n(CC(=O)NCCCC)c(=O)c2scc(C)c21
InChIInChI=1S/C18H27N3O3S/c1-4-6-8-10-20-15-13(3)12-25-16(15)17(23)21(18(20)24)11-14(22)19-9-7-5-2/h12H,4-11H2,1-3H3,(H,19,22)
InChIKeyKSWDBFLGTXPTKQ-UHFFFAOYSA-N
XLogP2.64
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 78815070
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46923188
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 112842947
N-butyl-2-[1-ethyl-3-methyl-5,7-dioxo-6-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 53043192
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
3-[2-(butylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172698
2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18290957
N-butyl-2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
CID 15996141
N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106381106
N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 141463465

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide (CID 141463438) is N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide is CCCCCn1c(=O)n(CC(=O)NCCCC)c(=O)c2scc(C)c21.
What is the InChIKey of N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is KSWDBFLGTXPTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-4-6-8-10-20-15-13(3)12-25-16(15)17(23)21(18(20)24)11-14(22)19-9-7-5-2/h12H,4-11H2,1-3H3,(H,19,22).
What are the key properties of N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide?
N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 365.50 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 141463438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).