2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide

C22H19FN6O — CID 70703585

IUPAC2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCc1nc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C22H19FN6O/c1-15-25-20(13-21(26-15)29-11-10-24-14-29)27-18-6-8-19(9-7-18)28-22(30)12-16-2-4-17(23)5-3-16/h2-11,13-14H,12H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyWPCICJBSCKIITP-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.03
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 70703585) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID70703585
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCc1nc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C22H19FN6O/c1-15-25-20(13-21(26-15)29-11-10-24-14-29)27-18-6-8-19(9-7-18)28-22(30)12-16-2-4-17(23)5-3-16/h2-11,13-14H,12H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyWPCICJBSCKIITP-UHFFFAOYSA-N
XLogP4.03
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbutanamide
CID 70702650
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297275
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-pyrimidin-2-yloxyacetamide
CID 121086772
2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 70702892
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122291620
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291598
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]pyridine-2-carboxamide
CID 122291528
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-propylthiadiazole-5-carboxamide
CID 122291552
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122291669

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide (CID 70703585) is 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide is Cc1nc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is WPCICJBSCKIITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c1-15-25-20(13-21(26-15)29-11-10-24-14-29)27-18-6-8-19(9-7-18)28-22(30)12-16-2-4-17(23)5-3-16/h2-11,13-14H,12H2,1H3,(H,28,30)(H,25,26,27).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 70703585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).