4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide

C24H28N4O2 — CID 108796521

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-6-30-22-12-7-15(2)13-21(22)18(5)27-23(29)19-8-10-20(11-9-19)28-24-25-16(3)14-17(4)26-24/h7-14,18H,6H2,1-5H3,(H,27,29)(H,25,26,28)
InChIKeyQEIMNYHPIKKRRH-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.04
Rot. Bonds7

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 108796521) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide
PubChem CID108796521
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-6-30-22-12-7-15(2)13-21(22)18(5)27-23(29)19-8-10-20(11-9-19)28-24-25-16(3)14-17(4)26-24/h7-14,18H,6H2,1-5H3,(H,27,29)(H,25,26,28)
InChIKeyQEIMNYHPIKKRRH-UHFFFAOYSA-N
XLogP5.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide with MolForge

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Related Compounds

6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
CID 52501301
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide
CID 9264106
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100778918
tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9264258
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705749
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
methyl 4-[[(Z)-2-cyano-3-[1-(2-ethoxy-5-methylphenyl)ethylamino]-3-oxoprop-1-enyl]amino]benzoate
CID 108847867

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide (CID 108796521) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide is CCOc1ccc(C)cc1C(C)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is QEIMNYHPIKKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-6-30-22-12-7-15(2)13-21(22)18(5)27-23(29)19-8-10-20(11-9-19)28-24-25-16(3)14-17(4)26-24/h7-14,18H,6H2,1-5H3,(H,27,29)(H,25,26,28).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 108796521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).