N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide

C22H20N6O2 — CID 121073956

IUPACN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide
SMILESCc1nccn1-c1cc(Nc2ccc(NC(=O)COc3ccccc3)cc2)ncn1
InChIInChI=1S/C22H20N6O2/c1-16-23-11-12-28(16)21-13-20(24-15-25-21)26-17-7-9-18(10-8-17)27-22(29)14-30-19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,27,29)(H,24,25,26)
InChIKeyMNICEDUHMPNAAD-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.73
Rot. Bonds7

About N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide

N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide (PubChem CID 121073956) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide
PubChem CID121073956
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide
SMILESCc1nccn1-c1cc(Nc2ccc(NC(=O)COc3ccccc3)cc2)ncn1
InChIInChI=1S/C22H20N6O2/c1-16-23-11-12-28(16)21-13-20(24-15-25-21)26-17-7-9-18(10-8-17)27-22(29)14-30-19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,27,29)(H,24,25,26)
InChIKeyMNICEDUHMPNAAD-UHFFFAOYSA-N
XLogP3.73
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 121073975
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 121073957
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122291908
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291817
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide
CID 122291876
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
1-(3,4-dimethylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074302
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
4-iodo-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073990
2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073969
1-(3-chloro-4-methylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074292
1-(3-chloro-4-methoxyphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074298

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide (CID 121073956) is N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide is Cc1nccn1-c1cc(Nc2ccc(NC(=O)COc3ccccc3)cc2)ncn1.
What is the InChIKey of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide?
The InChIKey is MNICEDUHMPNAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-16-23-11-12-28(16)21-13-20(24-15-25-21)26-17-7-9-18(10-8-17)27-22(29)14-30-19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,27,29)(H,24,25,26).
What are the key properties of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide?
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide has a molecular weight of 400.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 121073956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).