5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C8H11F3N4 — CID 80784894

IUPAC5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC(F)(F)F
InChIInChI=1S/C8H11F3N4/c1-2-5-6(12)14-4-15-7(5)13-3-8(9,10)11/h4H,2-3H2,1H3,(H3,12,13,14,15)
InChIKeyNYFNYWRILCMXHI-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.60
Rot. Bonds3

About 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80784894) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80784894
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC(F)(F)F
InChIInChI=1S/C8H11F3N4/c1-2-5-6(12)14-4-15-7(5)13-3-8(9,10)11/h4H,2-3H2,1H3,(H3,12,13,14,15)
InChIKeyNYFNYWRILCMXHI-UHFFFAOYSA-N
XLogP1.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-N-(2,2,2-trifluoroethyl)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 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80784894) is 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCC(F)(F)F.
What is the InChIKey of 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is NYFNYWRILCMXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-2-5-6(12)14-4-15-7(5)13-3-8(9,10)11/h4H,2-3H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 220.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80784894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).