2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide

C17H18N4O2S — CID 39430068

IUPAC2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESCc1sc2ncn(CC(=O)N[C@H](C)c3ccccn3)c(=O)c2c1C
InChIInChI=1S/C17H18N4O2S/c1-10-12(3)24-16-15(10)17(23)21(9-19-16)8-14(22)20-11(2)13-6-4-5-7-18-13/h4-7,9,11H,8H2,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyRHHZTMNPSPGZBH-LLVKDONJSA-N
MW342.42 g/mol
LogP2.35
Rot. Bonds4

About 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide (PubChem CID 39430068) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
PubChem CID39430068
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESCc1sc2ncn(CC(=O)N[C@H](C)c3ccccn3)c(=O)c2c1C
InChIInChI=1S/C17H18N4O2S/c1-10-12(3)24-16-15(10)17(23)21(9-19-16)8-14(22)20-11(2)13-6-4-5-7-18-13/h4-7,9,11H,8H2,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyRHHZTMNPSPGZBH-LLVKDONJSA-N
XLogP2.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide with MolForge

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Related Compounds

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 6926063
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 1078247
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-hydroxy-3-methylpentan-2-yl)acetamide
CID 91821491
N-butan-2-yl-2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide
CID 3436413
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8576831
N-[(E)-benzylideneamino]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6871033
N-(2-aminoethyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39161648
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 7629831
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 7732059
N-[1-(4-chlorophenyl)ethyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 16618937
N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide
CID 17471291

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide (CID 39430068) is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide is Cc1sc2ncn(CC(=O)N[C@H](C)c3ccccn3)c(=O)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is RHHZTMNPSPGZBH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-12(3)24-16-15(10)17(23)21(9-19-16)8-14(22)20-11(2)13-6-4-5-7-18-13/h4-7,9,11H,8H2,1-3H3,(H,20,22)/t11-/m1/s1.
What are the key properties of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 39430068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).