2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide

C22H26N6O2 — CID 122315168

IUPAC2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1C
InChIInChI=1S/C22H26N6O2/c1-15-12-17(7-8-18(15)30-3)13-22(29)25-11-10-24-20-14-21(27-16(2)26-20)28-19-6-4-5-9-23-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,29)(H2,23,24,26,27,28)
InChIKeyWXNWCDWNGUCZCX-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.01
Rot. Bonds9

About 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide

2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 122315168) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID122315168
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1C
InChIInChI=1S/C22H26N6O2/c1-15-12-17(7-8-18(15)30-3)13-22(29)25-11-10-24-20-14-21(27-16(2)26-20)28-19-6-4-5-9-23-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,29)(H2,23,24,26,27,28)
InChIKeyWXNWCDWNGUCZCX-UHFFFAOYSA-N
XLogP3.01
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314926
N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122315126
2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314928
1-(4-ethylphenyl)-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122314995
1-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122315086
2-(4-methoxy-3-methylphenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325097
3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
CID 122315229
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122315627
1-(2-methoxyphenyl)-3-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]urea
CID 122315423
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenoxyacetamide
CID 122315365
N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122315171
2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347434

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide (CID 122315168) is 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide is COc1ccc(CC(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is WXNWCDWNGUCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-12-17(7-8-18(15)30-3)13-22(29)25-11-10-24-20-14-21(27-16(2)26-20)28-19-6-4-5-9-23-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,29)(H2,23,24,26,27,28).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide?
2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.01, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122315168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).