2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide

C21H16F2N6O — CID 70702892

IUPAC2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C21H16F2N6O/c1-13-25-18(11-19(26-13)29-10-9-24-12-29)27-14-5-7-15(8-6-14)28-21(30)20-16(22)3-2-4-17(20)23/h2-12H,1H3,(H,28,30)(H,25,26,27)
InChIKeyLRIORDRQCJGDFJ-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.24
Rot. Bonds5

About 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide

2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 70702892) has the molecular formula C21H16F2N6O and a molecular weight of 406.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID70702892
Molecular FormulaC21H16F2N6O
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C21H16F2N6O/c1-13-25-18(11-19(26-13)29-10-9-24-12-29)27-14-5-7-15(8-6-14)28-21(30)20-16(22)3-2-4-17(20)23/h2-12H,1H3,(H,28,30)(H,25,26,27)
InChIKeyLRIORDRQCJGDFJ-UHFFFAOYSA-N
XLogP4.24
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.24
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]pyridine-2-carboxamide
CID 122291528
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzamide
CID 121073870
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 70703585
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]-2-naphthalen-1-ylacetamide
CID 122291584
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbutanamide
CID 70702650
5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide
CID 121073894
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-pyrimidin-2-yloxyacetamide
CID 121086772
1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920689
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291598

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide (CID 70702892) is 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide is Cc1nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is LRIORDRQCJGDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O/c1-13-25-18(11-19(26-13)29-10-9-24-12-29)27-14-5-7-15(8-6-14)28-21(30)20-16(22)3-2-4-17(20)23/h2-12H,1H3,(H,28,30)(H,25,26,27).
What are the key properties of 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide?
2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 406.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 70702892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).