5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C10H12F4N4 — CID 138511135

IUPAC5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCC(C(F)(F)F)CC2)c1F
InChIInChI=1S/C10H12F4N4/c11-7-8(15)16-5-17-9(7)18-3-1-6(2-4-18)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17)
InChIKeyHFNSYWLOOZTXFA-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.98
Rot. Bonds1

About 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 138511135) has the molecular formula C10H12F4N4 and a molecular weight of 264.23 g/mol. Its IUPAC name is 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID138511135
Molecular FormulaC10H12F4N4
Molecular Weight264.23 g/mol
Exact Mass264.10
IUPAC Name5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCC(C(F)(F)F)CC2)c1F
InChIInChI=1S/C10H12F4N4/c11-7-8(15)16-5-17-9(7)18-3-1-6(2-4-18)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17)
InChIKeyHFNSYWLOOZTXFA-UHFFFAOYSA-N
XLogP1.98
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-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 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 138511135) is 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is Nc1ncnc(N2CCC(C(F)(F)F)CC2)c1F.
What is the InChIKey of 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is HFNSYWLOOZTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N4/c11-7-8(15)16-5-17-9(7)18-3-1-6(2-4-18)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17).
What are the key properties of 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 264.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 138511135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).