6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H11F3N4S — CID 106772405

IUPAC6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccsc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4S/c1-2-15-8-5-9(16-7-3-4-19-6-7)18-10(17-8)11(12,13)14/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyPDHNRYNIUASCGL-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.73
Rot. Bonds4

About 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772405) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772405
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccsc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4S/c1-2-15-8-5-9(16-7-3-4-19-6-7)18-10(17-8)11(12,13)14/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyPDHNRYNIUASCGL-UHFFFAOYSA-N
XLogP3.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772405) is 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(Nc2ccsc2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is PDHNRYNIUASCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-2-15-8-5-9(16-7-3-4-19-6-7)18-10(17-8)11(12,13)14/h3-6H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 288.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).