6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C5H8F3N3 — CID 23026177

IUPAC6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(C(F)(F)F)N1
InChIInChI=1S/C5H8F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h3H,1-2H2,(H3,9,10,11)
InChIKeyXQPLGEPIKQRPRQ-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.23
Rot. Bonds

About 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 23026177) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID23026177
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC Name6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(C(F)(F)F)N1
InChIInChI=1S/C5H8F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h3H,1-2H2,(H3,9,10,11)
InChIKeyXQPLGEPIKQRPRQ-UHFFFAOYSA-N
XLogP0.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-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)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 23026177) is 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCC(C(F)(F)F)N1.
What is the InChIKey of 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is XQPLGEPIKQRPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h3H,1-2H2,(H3,9,10,11).
What are the key properties of 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 167.13 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 23026177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).