2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine

C11H12F4N4S — CID 106296189

IUPAC2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC(F)(F)C(F)F)c2ccsc2n1
InChIInChI=1S/C11H12F4N4S/c1-2-16-10-18-7(6-3-4-20-8(6)19-10)17-5-11(14,15)9(12)13/h3-4,9H,2,5H2,1H3,(H2,16,17,18,19)
InChIKeySPSISWUGLHMKFK-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.44
Rot. Bonds6

About 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106296189) has the molecular formula C11H12F4N4S and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106296189
Molecular FormulaC11H12F4N4S
Molecular Weight308.30 g/mol
Exact Mass308.07
IUPAC Name2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC(F)(F)C(F)F)c2ccsc2n1
InChIInChI=1S/C11H12F4N4S/c1-2-16-10-18-7(6-3-4-20-8(6)19-10)17-5-11(14,15)9(12)13/h3-4,9H,2,5H2,1H3,(H2,16,17,18,19)
InChIKeySPSISWUGLHMKFK-UHFFFAOYSA-N
XLogP3.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 103325026
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
5-bromo-2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 114169916
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825
2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330597

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 106296189) is 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCC(F)(F)C(F)F)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SPSISWUGLHMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N4S/c1-2-16-10-18-7(6-3-4-20-8(6)19-10)17-5-11(14,15)9(12)13/h3-4,9H,2,5H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 308.30 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106296189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).