N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine

C26H23N7O — CID 58966971

IUPACN-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc(-c4ccccc4)c(C)[nH]3)cc2)n1
InChIInChI=1S/C26H23N7O/c1-17-23(18-7-4-3-5-8-18)33-26(30-17)31-19-10-12-20(13-11-19)34-24-21(9-6-15-28-24)22-14-16-29-25(27-2)32-22/h3-16H,1-2H3,(H,27,29,32)(H2,30,31,33)
InChIKeyUXSWMOICOJZFTK-UHFFFAOYSA-N
MW449.52 g/mol
LogP5.81
Rot. Bonds7

About N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine

N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 58966971) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine
PubChem CID58966971
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC NameN-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc(-c4ccccc4)c(C)[nH]3)cc2)n1
InChIInChI=1S/C26H23N7O/c1-17-23(18-7-4-3-5-8-18)33-26(30-17)31-19-10-12-20(13-11-19)34-24-21(9-6-15-28-24)22-14-16-29-25(27-2)32-22/h3-16H,1-2H3,(H,27,29,32)(H2,30,31,33)
InChIKeyUXSWMOICOJZFTK-UHFFFAOYSA-N
XLogP5.81
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.52
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-amine
CID 66731455
N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
CID 24855843
4-cyclopropyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]isoquinolin-1-amine
CID 66731434
3-[[4-[2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-yl]amino]propanoic acid
CID 66731609
4-(4-ethylpiperazin-1-yl)-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine
CID 66731668
N-[[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]sulfanylcarbamoyl]benzamide
CID 90255142
4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine
CID 24983498
N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
N-[3-chloro-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4,5-difluoro-1H-benzimidazol-2-amine
CID 24983519
1-(3-ethylphenyl)-3-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58587813
N-[4-[[3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4-phenylphthalazin-1-amine
CID 66731895
4-chloro-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]phthalazin-1-amine;N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4-morpholin-4-ylphthalazin-1-amine
CID 161160670

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine (CID 58966971) is N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine is CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc(-c4ccccc4)c(C)[nH]3)cc2)n1.
What is the InChIKey of N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is UXSWMOICOJZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-17-23(18-7-4-3-5-8-18)33-26(30-17)31-19-10-12-20(13-11-19)34-24-21(9-6-15-28-24)22-14-16-29-25(27-2)32-22/h3-16H,1-2H3,(H,27,29,32)(H2,30,31,33).
What are the key properties of N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine?
N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 449.52 g/mol, XLogP of 5.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 58966971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).