3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one

C26H33FN6O2 — CID 11671228

IUPAC3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one
SMILESCC(C)n1cc(-c2ccnc(NC3CCC(N4CCOCC4)CC3)n2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H33FN6O2/c1-18(2)32-17-24(33(26(32)34)22-7-3-19(27)4-8-22)23-11-12-28-25(30-23)29-20-5-9-21(10-6-20)31-13-15-35-16-14-31/h3-4,7-8,11-12,17-18,20-21H,5-6,9-10,13-16H2,1-2H3,(H,28,29,30)
InChIKeyKDEYSHCZABUPJK-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.87
Rot. Bonds6

About 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one

3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one (PubChem CID 11671228) has the molecular formula C26H33FN6O2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one
PubChem CID11671228
Molecular FormulaC26H33FN6O2
Molecular Weight480.59 g/mol
Exact Mass480.26
IUPAC Name3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one
SMILESCC(C)n1cc(-c2ccnc(NC3CCC(N4CCOCC4)CC3)n2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H33FN6O2/c1-18(2)32-17-24(33(26(32)34)22-7-3-19(27)4-8-22)23-11-12-28-25(30-23)29-20-5-9-21(10-6-20)31-13-15-35-16-14-31/h3-4,7-8,11-12,17-18,20-21H,5-6,9-10,13-16H2,1-2H3,(H,28,29,30)
InChIKeyKDEYSHCZABUPJK-UHFFFAOYSA-N
XLogP3.87
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one 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 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one (CID 11671228) is 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one is CC(C)n1cc(-c2ccnc(NC3CCC(N4CCOCC4)CC3)n2)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one?
The InChIKey is KDEYSHCZABUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O2/c1-18(2)32-17-24(33(26(32)34)22-7-3-19(27)4-8-22)23-11-12-28-25(30-23)29-20-5-9-21(10-6-20)31-13-15-35-16-14-31/h3-4,7-8,11-12,17-18,20-21H,5-6,9-10,13-16H2,1-2H3,(H,28,29,30).
What are the key properties of 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one?
3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one has a molecular weight of 480.59 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one is sourced from PubChem (CID 11671228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).