6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine

C5H6F3N3 — CID 121320688

IUPAC6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine
SMILESNC1C=C(C(F)(F)F)NC=N1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2,4H,9H2,(H,10,11)
InChIKeyGOZSJUCVZPAZEF-UHFFFAOYSA-N
MW165.12 g/mol
LogP0.35
Rot. Bonds

About 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine

6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine (PubChem CID 121320688) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine
PubChem CID121320688
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine
SMILESNC1C=C(C(F)(F)F)NC=N1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2,4H,9H2,(H,10,11)
InChIKeyGOZSJUCVZPAZEF-UHFFFAOYSA-N
XLogP0.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine 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-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine?
The IUPAC name of 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine (CID 121320688) is 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine is NC1C=C(C(F)(F)F)NC=N1.
What is the InChIKey of 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine?
The InChIKey is GOZSJUCVZPAZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2,4H,9H2,(H,10,11).
What are the key properties of 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine?
6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine has a molecular weight of 165.12 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 121320688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).