2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H10F3N3O2S — CID 102685784

IUPAC2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1csc2c(=O)n(CC(=O)NCC(F)(F)F)cnc12
InChIInChI=1S/C11H10F3N3O2S/c1-6-3-20-9-8(6)16-5-17(10(9)19)2-7(18)15-4-11(12,13)14/h3,5H,2,4H2,1H3,(H,15,18)
InChIKeyRALDVDPOEJWIEM-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.44
Rot. Bonds3

About 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102685784) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102685784
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1csc2c(=O)n(CC(=O)NCC(F)(F)F)cnc12
InChIInChI=1S/C11H10F3N3O2S/c1-6-3-20-9-8(6)16-5-17(10(9)19)2-7(18)15-4-11(12,13)14/h3,5H,2,4H2,1H3,(H,15,18)
InChIKeyRALDVDPOEJWIEM-UHFFFAOYSA-N
XLogP1.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
CID 102685394
N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 146130124
N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 102685858
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60544932
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-[2-(4-bromophenyl)-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685418
N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 102685631
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583609
N-[(4-methylphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498400
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 102685784) is 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1csc2c(=O)n(CC(=O)NCC(F)(F)F)cnc12.
What is the InChIKey of 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RALDVDPOEJWIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-6-3-20-9-8(6)16-5-17(10(9)19)2-7(18)15-4-11(12,13)14/h3,5H,2,4H2,1H3,(H,15,18).
What are the key properties of 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 305.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102685784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).