N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide

C21H19N3O2S2 — CID 9069897

IUPACN-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1sc2ncn(CC(=O)N(C)Cc3ccsc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C21H19N3O2S2/c1-14-18(16-6-4-3-5-7-16)19-20(28-14)22-13-24(21(19)26)11-17(25)23(2)10-15-8-9-27-12-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyDTTVZWMATRBAFT-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 9069897) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID9069897
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC NameN-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1sc2ncn(CC(=O)N(C)Cc3ccsc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C21H19N3O2S2/c1-14-18(16-6-4-3-5-7-16)19-20(28-14)22-13-24(21(19)26)11-17(25)23(2)10-15-8-9-27-12-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyDTTVZWMATRBAFT-UHFFFAOYSA-N
XLogP4.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24570965
N-benzyl-2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 40842357
N-butyl-N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7729459
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 7732059
3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 9122815
6-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 23408920
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193253
6-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7456786
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-prop-2-enylacetamide
CID 35792847
[(2S)-butan-2-yl] 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 7697182
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7456747
N-(4-fluorophenyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2792734

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 9069897) is N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide is Cc1sc2ncn(CC(=O)N(C)Cc3ccsc3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is DTTVZWMATRBAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-14-18(16-6-4-3-5-7-16)19-20(28-14)22-13-24(21(19)26)11-17(25)23(2)10-15-8-9-27-12-15/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 409.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 9069897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).