N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide

C23H28FN5O3 — CID 90634935

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CN3CCN(c4ccc(F)cc4)C3=O)CC2)n1
InChIInChI=1S/C23H28FN5O3/c1-15-13-16(2)26-22(25-15)32-20-9-5-18(6-10-20)27-21(30)14-28-11-12-29(23(28)31)19-7-3-17(24)4-8-19/h3-4,7-8,13,18,20H,5-6,9-12,14H2,1-2H3,(H,27,30)
InChIKeyKFONKVCRJRLNJI-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.98
Rot. Bonds6

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 90634935) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
PubChem CID90634935
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CN3CCN(c4ccc(F)cc4)C3=O)CC2)n1
InChIInChI=1S/C23H28FN5O3/c1-15-13-16(2)26-22(25-15)32-20-9-5-18(6-10-20)27-21(30)14-28-11-12-29(23(28)31)19-7-3-17(24)4-8-19/h3-4,7-8,13,18,20H,5-6,9-12,14H2,1-2H3,(H,27,30)
InChIKeyKFONKVCRJRLNJI-UHFFFAOYSA-N
XLogP2.98
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633456
2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634938
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90634432
2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide
CID 62678312
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 121162711
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754
1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one
CID 121161021
3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
CID 90634997
2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide
CID 175640635

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide (CID 90634935) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide is Cc1cc(C)nc(OC2CCC(NC(=O)CN3CCN(c4ccc(F)cc4)C3=O)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is KFONKVCRJRLNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-15-13-16(2)26-22(25-15)32-20-9-5-18(6-10-20)27-21(30)14-28-11-12-29(23(28)31)19-7-3-17(24)4-8-19/h3-4,7-8,13,18,20H,5-6,9-12,14H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 90634935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).