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

C11H12F3N3S — CID 63614643

IUPAC6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(CC(F)(F)F)nc2s1
InChIInChI=1S/C11H12F3N3S/c1-3-6-4-7-9(15-2)16-8(5-11(12,13)14)17-10(7)18-6/h4H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyMROOXGCPUYDJHY-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.40
Rot. Bonds3

About 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63614643) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63614643
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(CC(F)(F)F)nc2s1
InChIInChI=1S/C11H12F3N3S/c1-3-6-4-7-9(15-2)16-8(5-11(12,13)14)17-10(7)18-6/h4H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyMROOXGCPUYDJHY-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614031
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63615784
6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 65131807
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 81274014
6-ethyl-N-methyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63616459
[6-ethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615328
6-ethyl-N-methyl-2-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 63616457
2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65392053

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 63614643) is 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC)nc(CC(F)(F)F)nc2s1.
What is the InChIKey of 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MROOXGCPUYDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c1-3-6-4-7-9(15-2)16-8(5-11(12,13)14)17-10(7)18-6/h4H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63614643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).