2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide

C18H20N4O2S — CID 118782889

IUPAC2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide
SMILESCCCCC(NC(=O)Cn1cnc2ccsc2c1=O)c1cccnc1
InChIInChI=1S/C18H20N4O2S/c1-2-3-6-14(13-5-4-8-19-10-13)21-16(23)11-22-12-20-15-7-9-25-17(15)18(22)24/h4-5,7-10,12,14H,2-3,6,11H2,1H3,(H,21,23)
InChIKeyXHZUNIOWZTWRFO-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.90
Rot. Bonds7

About 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide

2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide (PubChem CID 118782889) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide
PubChem CID118782889
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide
SMILESCCCCC(NC(=O)Cn1cnc2ccsc2c1=O)c1cccnc1
InChIInChI=1S/C18H20N4O2S/c1-2-3-6-14(13-5-4-8-19-10-13)21-16(23)11-22-12-20-15-7-9-25-17(15)18(22)24/h4-5,7-10,12,14H,2-3,6,11H2,1H3,(H,21,23)
InChIKeyXHZUNIOWZTWRFO-UHFFFAOYSA-N
XLogP2.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butyl 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetate
CID 54940897
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 122570848
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
CID 126431719
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 41088479
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62023205
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 91793683
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
N-(1-pyridin-3-ylpentyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556162

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide?
The IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide (CID 118782889) is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide.
What is the SMILES notation for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide?
The canonical SMILES for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide is CCCCC(NC(=O)Cn1cnc2ccsc2c1=O)c1cccnc1.
What is the InChIKey of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide?
The InChIKey is XHZUNIOWZTWRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-3-6-14(13-5-4-8-19-10-13)21-16(23)11-22-12-20-15-7-9-25-17(15)18(22)24/h4-5,7-10,12,14H,2-3,6,11H2,1H3,(H,21,23).
What are the key properties of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide?
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide is sourced from PubChem (CID 118782889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).