6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine

C25H34FN7O — CID 89450751

IUPAC6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine
SMILESCCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(C)C)CC1
InChIInChI=1S/C25H34FN7O/c1-5-34-22-23(27)28-16-29-25(22)32-10-8-18(9-11-32)24-30-21(15-33(24)13-12-31(3)4)19-6-7-20(26)17(2)14-19/h6-7,14-16,18H,5,8-13H2,1-4H3,(H2,27,28,29)
InChIKeyKMAREWFGYUHLEK-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.71
Rot. Bonds8

About 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine

6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine (PubChem CID 89450751) has the molecular formula C25H34FN7O and a molecular weight of 467.59 g/mol. Its IUPAC name is 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine
PubChem CID89450751
Molecular FormulaC25H34FN7O
Molecular Weight467.59 g/mol
Exact Mass467.28
IUPAC Name6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine
SMILESCCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(C)C)CC1
InChIInChI=1S/C25H34FN7O/c1-5-34-22-23(27)28-16-29-25(22)32-10-8-18(9-11-32)24-30-21(15-33(24)13-12-31(3)4)19-6-7-20(26)17(2)14-19/h6-7,14-16,18H,5,8-13H2,1-4H3,(H2,27,28,29)
InChIKeyKMAREWFGYUHLEK-UHFFFAOYSA-N
XLogP3.71
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-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 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine?
The IUPAC name of 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine (CID 89450751) is 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine.
What is the SMILES notation for 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine?
The canonical SMILES for 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine is CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(C)C)CC1.
What is the InChIKey of 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine?
The InChIKey is KMAREWFGYUHLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN7O/c1-5-34-22-23(27)28-16-29-25(22)32-10-8-18(9-11-32)24-30-21(15-33(24)13-12-31(3)4)19-6-7-20(26)17(2)14-19/h6-7,14-16,18H,5,8-13H2,1-4H3,(H2,27,28,29).
What are the key properties of 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine?
6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine has a molecular weight of 467.59 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[2-(dimethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-5-ethoxypyrimidin-4-amine is sourced from PubChem (CID 89450751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).