4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine

C22H27FN6 — CID 10475737

IUPAC4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCC1(C)CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC(C)(C)N1
InChIInChI=1S/C22H27FN6/c1-21(2)11-16(12-22(3,4)28-21)29-13-26-18(14-5-7-15(23)8-6-14)19(29)17-9-10-25-20(24)27-17/h5-10,13,16,28H,11-12H2,1-4H3,(H2,24,25,27)
InChIKeyQQJUCFIPZAVTEU-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.21
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine

4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 10475737) has the molecular formula C22H27FN6 and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID10475737
Molecular FormulaC22H27FN6
Molecular Weight394.50 g/mol
Exact Mass394.23
IUPAC Name4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCC1(C)CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC(C)(C)N1
InChIInChI=1S/C22H27FN6/c1-21(2)11-16(12-22(3,4)28-21)29-13-26-18(14-5-7-15(23)8-6-14)19(29)17-9-10-25-20(24)27-17/h5-10,13,16,28H,11-12H2,1-4H3,(H2,24,25,27)
InChIKeyQQJUCFIPZAVTEU-UHFFFAOYSA-N
XLogP4.21
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-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 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine (CID 10475737) is 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine is CC1(C)CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC(C)(C)N1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is QQJUCFIPZAVTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6/c1-21(2)11-16(12-22(3,4)28-21)29-13-26-18(14-5-7-15(23)8-6-14)19(29)17-9-10-25-20(24)27-17/h5-10,13,16,28H,11-12H2,1-4H3,(H2,24,25,27).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 394.50 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10475737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).