6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide

C11H9F3N4O3S — CID 6426398

IUPAC6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)C(F)(F)F)c(C(N)=O)nc2s1
InChIInChI=1S/C11H9F3N4O3S/c1-2-4-3-5-8(22-4)16-7(6(15)19)18(9(5)20)17-10(21)11(12,13)14/h3H,2H2,1H3,(H2,15,19)(H,17,21)
InChIKeyRZMIOKRCJVHQQK-UHFFFAOYSA-N
MW334.28 g/mol
LogP0.75
Rot. Bonds3

About 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide

6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 6426398) has the molecular formula C11H9F3N4O3S and a molecular weight of 334.28 g/mol. Its IUPAC name is 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID6426398
Molecular FormulaC11H9F3N4O3S
Molecular Weight334.28 g/mol
Exact Mass334.03
IUPAC Name6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)C(F)(F)F)c(C(N)=O)nc2s1
InChIInChI=1S/C11H9F3N4O3S/c1-2-4-3-5-8(22-4)16-7(6(15)19)18(9(5)20)17-10(21)11(12,13)14/h3H,2H2,1H3,(H2,15,19)(H,17,21)
InChIKeyRZMIOKRCJVHQQK-UHFFFAOYSA-N
XLogP0.75
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
CID 6421611
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide
CID 39158848
2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
CID 7174412
6-ethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)thieno[2,3-d]pyrimidin-4-one
CID 86792550
6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one
CID 28692485
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid
CID 82146687
ethyl 4-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692459
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488794
4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide
CID 19575798
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28692105
6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one
CID 110832674

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide (CID 6426398) is 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide is CCc1cc2c(=O)n(NC(=O)C(F)(F)F)c(C(N)=O)nc2s1.
What is the InChIKey of 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is RZMIOKRCJVHQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3S/c1-2-4-3-5-8(22-4)16-7(6(15)19)18(9(5)20)17-10(21)11(12,13)14/h3H,2H2,1H3,(H2,15,19)(H,17,21).
What are the key properties of 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide?
6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 334.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 6426398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).