2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C12H15F3N4S — CID 62184210

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1nc(NC)c2ccsc2n1)CC(F)(F)F
InChIInChI=1S/C12H15F3N4S/c1-3-19(7-12(13,14)15)6-9-17-10(16-2)8-4-5-20-11(8)18-9/h4-5H,3,6-7H2,1-2H3,(H,16,17,18)
InChIKeyCJHKOBQGZFKIBJ-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.12
Rot. Bonds5

About 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62184210) has the molecular formula C12H15F3N4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62184210
Molecular FormulaC12H15F3N4S
Molecular Weight304.34 g/mol
Exact Mass304.10
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1nc(NC)c2ccsc2n1)CC(F)(F)F
InChIInChI=1S/C12H15F3N4S/c1-3-19(7-12(13,14)15)6-9-17-10(16-2)8-4-5-20-11(8)18-9/h4-5H,3,6-7H2,1-2H3,(H,16,17,18)
InChIKeyCJHKOBQGZFKIBJ-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62184210) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CCN(Cc1nc(NC)c2ccsc2n1)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CJHKOBQGZFKIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S/c1-3-19(7-12(13,14)15)6-9-17-10(16-2)8-4-5-20-11(8)18-9/h4-5H,3,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62184210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).