N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C13H19F3N4 — CID 80847458

IUPACN,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C13H19F3N4/c1-8-11(17-3)18-9(2)19-12(8)20-6-4-10(5-7-20)13(14,15)16/h10H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyHKEMHJAQTASDGI-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.91
Rot. Bonds2

About N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80847458) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80847458
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C13H19F3N4/c1-8-11(17-3)18-9(2)19-12(8)20-6-4-10(5-7-20)13(14,15)16/h10H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyHKEMHJAQTASDGI-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2,5-trimethyl-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 N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80847458) is N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CNc1nc(C)nc(N2CCC(C(F)(F)F)CC2)c1C.
What is the InChIKey of N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is HKEMHJAQTASDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-8-11(17-3)18-9(2)19-12(8)20-6-4-10(5-7-20)13(14,15)16/h10H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 288.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80847458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).