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

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Related Compounds

5-ethyl-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89442676
3-amino-2-bromo-N'-methyl-3-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]prop-2-enimidamide
CID 144554961
5-bromo-6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 118300548
6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
CID 118300551
N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride
CID 118290309
4-[1-[2-(azetidin-1-yl)ethyl]-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-4-yl]-2-(trifluoromethyl)pyridine
CID 90454194
5-ethoxy-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(propan-2-ylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 71516764
4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(2-methylpropylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 89450302
3-methyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 56816452
5-ethoxy-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(propan-2-ylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255743
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255714
4-amino-6-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 142772777

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).