2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C16H20N4O3S — CID 4194956

IUPAC2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)NCC(=O)N3CCCCC3)cnc2s1
InChIInChI=1S/C16H20N4O3S/c1-11-7-12-15(24-11)18-10-20(16(12)23)9-13(21)17-8-14(22)19-5-3-2-4-6-19/h7,10H,2-6,8-9H2,1H3,(H,17,21)
InChIKeySPDBFELLVMNBGT-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.90
Rot. Bonds4

About 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 4194956) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID4194956
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)NCC(=O)N3CCCCC3)cnc2s1
InChIInChI=1S/C16H20N4O3S/c1-11-7-12-15(24-11)18-10-20(16(12)23)9-13(21)17-8-14(22)19-5-3-2-4-6-19/h7,10H,2-6,8-9H2,1H3,(H,17,21)
InChIKeySPDBFELLVMNBGT-UHFFFAOYSA-N
XLogP0.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 645569
6-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 735018
N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide
CID 1453222
N-isopropyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 2059275
N-(3-methoxypropyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 2059297
N-allyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 2158353
N-allyl-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 2158417
N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2816848
N-(sec-butyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 3329816
N-isobutyl-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 3466003
N-(sec-butyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 3589942
N-butyl-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 3626347

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 4194956) is 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is Cc1cc2c(=O)n(CC(=O)NCC(=O)N3CCCCC3)cnc2s1.
What is the InChIKey of 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is SPDBFELLVMNBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-7-12-15(24-11)18-10-20(16(12)23)9-13(21)17-8-14(22)19-5-3-2-4-6-19/h7,10H,2-6,8-9H2,1H3,(H,17,21).
What are the key properties of 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 4194956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).