2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C21H25F3N8 — CID 123577380

IUPAC2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2nccc(N)n2)CC1
InChIInChI=1S/C21H25F3N8/c1-26-8-11-32-13-16(15-2-6-27-17(12-15)21(22,23)24)29-19(32)14-4-9-31(10-5-14)20-28-7-3-18(25)30-20/h2-3,6-7,12-14,26H,4-5,8-11H2,1H3,(H2,25,28,30)
InChIKeyILDWIRAZROWDAW-UHFFFAOYSA-N
MW446.48 g/mol
LogP2.94
Rot. Bonds6

About 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 123577380) has the molecular formula C21H25F3N8 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID123577380
Molecular FormulaC21H25F3N8
Molecular Weight446.48 g/mol
Exact Mass446.22
IUPAC Name2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2nccc(N)n2)CC1
InChIInChI=1S/C21H25F3N8/c1-26-8-11-32-13-16(15-2-6-27-17(12-15)21(22,23)24)29-19(32)14-4-9-31(10-5-14)20-28-7-3-18(25)30-20/h2-3,6-7,12-14,26H,4-5,8-11H2,1H3,(H2,25,28,30)
InChIKeyILDWIRAZROWDAW-UHFFFAOYSA-N
XLogP2.94
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]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 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 123577380) is 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is CNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2nccc(N)n2)CC1.
What is the InChIKey of 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ILDWIRAZROWDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N8/c1-26-8-11-32-13-16(15-2-6-27-17(12-15)21(22,23)24)29-19(32)14-4-9-31(10-5-14)20-28-7-3-18(25)30-20/h2-3,6-7,12-14,26H,4-5,8-11H2,1H3,(H2,25,28,30).
What are the key properties of 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 446.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 123577380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).