N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide

C22H24N4O2 — CID 70697583

IUPACN-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Oc2ccnc(NCc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-6-5-7-16(2)20(15)14-24-22-23-13-12-21(25-22)28-19-10-8-18(9-11-19)26(4)17(3)27/h5-13H,14H2,1-4H3,(H,23,24,25)
InChIKeyIYUIKKAKNUXNTE-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.48
Rot. Bonds6

About N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide

N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide (PubChem CID 70697583) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide
PubChem CID70697583
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Oc2ccnc(NCc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-6-5-7-16(2)20(15)14-24-22-23-13-12-21(25-22)28-19-10-8-18(9-11-19)26(4)17(3)27/h5-13H,14H2,1-4H3,(H,23,24,25)
InChIKeyIYUIKKAKNUXNTE-UHFFFAOYSA-N
XLogP4.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zotiraciclib
CID 16739650
Ast-487
CID 11409972
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea
CID 11260561
4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 6478571
US9580449, Example A241
CID 71473856
N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745
8-ethyl-2-[4-(2-methoxyethoxy)phenylamino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330215
N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 118005782
4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile
CID 488767

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide?
The IUPAC name of N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide (CID 70697583) is N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Oc2ccnc(NCc3c(C)cccc3C)n2)cc1.
What is the InChIKey of N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide?
The InChIKey is IYUIKKAKNUXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-6-5-7-16(2)20(15)14-24-22-23-13-12-21(25-22)28-19-10-8-18(9-11-19)26(4)17(3)27/h5-13H,14H2,1-4H3,(H,23,24,25).
What are the key properties of N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide?
N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide has a molecular weight of 376.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2,6-dimethylphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-N-methylacetamide is sourced from PubChem (CID 70697583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).