5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine

C22H23F2N9O — CID 68779056

IUPAC5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cn1
InChIInChI=1S/C22H23F2N9O/c1-31(2)17-8-7-14(13-25-17)26-20-28-21(32-9-11-34-12-10-32)30-22(29-20)33-16-6-4-3-5-15(16)27-19(33)18(23)24/h3-8,13,18H,9-12H2,1-2H3,(H,26,28,29,30)
InChIKeyBIAZDPQOBBMVFR-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.19
Rot. Bonds6

About 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 68779056) has the molecular formula C22H23F2N9O and a molecular weight of 467.48 g/mol. Its IUPAC name is 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID68779056
Molecular FormulaC22H23F2N9O
Molecular Weight467.48 g/mol
Exact Mass467.20
IUPAC Name5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cn1
InChIInChI=1S/C22H23F2N9O/c1-31(2)17-8-7-14(13-25-17)26-20-28-21(32-9-11-34-12-10-32)30-22(29-20)33-16-6-4-3-5-15(16)27-19(33)18(23)24/h3-8,13,18H,9-12H2,1-2H3,(H,26,28,29,30)
InChIKeyBIAZDPQOBBMVFR-UHFFFAOYSA-N
XLogP3.19
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine with MolForge

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Related Compounds

5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 123166656
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 123563431
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66854529
N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-3H-indol-6-amine
CID 158621311
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 162159231
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955443
5-N-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,5-diamine
CID 123704868
1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 71527009
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine
CID 160528643
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570855
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 68779056) is 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1ccc(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cn1.
What is the InChIKey of 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is BIAZDPQOBBMVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N9O/c1-31(2)17-8-7-14(13-25-17)26-20-28-21(32-9-11-34-12-10-32)30-22(29-20)33-16-6-4-3-5-15(16)27-19(33)18(23)24/h3-8,13,18H,9-12H2,1-2H3,(H,26,28,29,30).
What are the key properties of 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 467.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 68779056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).