N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C12H15N3O2S — CID 9372669

IUPACN-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCCCNC(=O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C12H15N3O2S/c1-2-3-5-13-10(16)7-15-8-14-11-9(12(15)17)4-6-18-11/h4,6,8H,2-3,5,7H2,1H3,(H,13,16)
InChIKeyWAKADBRAGNIEGZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.37
Rot. Bonds5

About N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 9372669) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID9372669
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCCCNC(=O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C12H15N3O2S/c1-2-3-5-13-10(16)7-15-8-14-11-9(12(15)17)4-6-18-11/h4,6,8H,2-3,5,7H2,1H3,(H,13,16)
InChIKeyWAKADBRAGNIEGZ-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate
CID 18195399
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17410333
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17468203
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
(2S)-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid
CID 107564302
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
N-[(2-methylpropan-2-yl)oxy]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 82726092
N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 115668775
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 8594423

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 9372669) is N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCCCNC(=O)Cn1cnc2sccc2c1=O.
What is the InChIKey of N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WAKADBRAGNIEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-3-5-13-10(16)7-15-8-14-11-9(12(15)17)4-6-18-11/h4,6,8H,2-3,5,7H2,1H3,(H,13,16).
What are the key properties of N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 9372669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).