2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

C28H29N5O2 — CID 122296155

IUPAC2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)cc1C
InChIInChI=1S/C28H29N5O2/c1-18-5-8-24(9-6-18)32-28-29-20(3)16-26(33-28)30-22-10-12-23(13-11-22)31-27(34)17-21-7-14-25(35-4)19(2)15-21/h5-16H,17H2,1-4H3,(H,31,34)(H2,29,30,32,33)
InChIKeyUZUNUUQGNAXUCL-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.08
Rot. Bonds8

About 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122296155) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122296155
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)cc1C
InChIInChI=1S/C28H29N5O2/c1-18-5-8-24(9-6-18)32-28-29-20(3)16-26(33-28)30-22-10-12-23(13-11-22)31-27(34)17-21-7-14-25(35-4)19(2)15-21/h5-16H,17H2,1-4H3,(H,31,34)(H2,29,30,32,33)
InChIKeyUZUNUUQGNAXUCL-UHFFFAOYSA-N
XLogP6.08
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325097
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 121032196
2-(1,3-benzodioxol-5-yl)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122287056
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112922789
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
1-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-3-phenylurea
CID 18566756
2-(3,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 2664751
3-methoxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzamide
CID 44826839
N-(3,5-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848483
1-(3,4-dimethoxyphenyl)-3-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]urea
CID 122325232

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 122296155) is 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is UZUNUUQGNAXUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-18-5-8-24(9-6-18)32-28-29-20(3)16-26(33-28)30-22-10-12-23(13-11-22)31-27(34)17-21-7-14-25(35-4)19(2)15-21/h5-16H,17H2,1-4H3,(H,31,34)(H2,29,30,32,33).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 6.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122296155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).