2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C15H19F3N4OS — CID 71891771

IUPAC2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(NCC(=O)NCC(F)(F)F)c2c(CC(C)C)csc2n1
InChIInChI=1S/C15H19F3N4OS/c1-8(2)4-10-6-24-14-12(10)13(21-9(3)22-14)19-5-11(23)20-7-15(16,17)18/h6,8H,4-5,7H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyAWSGBQBOBSVDIX-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.29
Rot. Bonds6

About 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71891771) has the molecular formula C15H19F3N4OS and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71891771
Molecular FormulaC15H19F3N4OS
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Name2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(NCC(=O)NCC(F)(F)F)c2c(CC(C)C)csc2n1
InChIInChI=1S/C15H19F3N4OS/c1-8(2)4-10-6-24-14-12(10)13(21-9(3)22-14)19-5-11(23)20-7-15(16,17)18/h6,8H,4-5,7H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyAWSGBQBOBSVDIX-UHFFFAOYSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 71891771) is 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(NCC(=O)NCC(F)(F)F)c2c(CC(C)C)csc2n1.
What is the InChIKey of 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AWSGBQBOBSVDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4OS/c1-8(2)4-10-6-24-14-12(10)13(21-9(3)22-14)19-5-11(23)20-7-15(16,17)18/h6,8H,4-5,7H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71891771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).