N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide

C21H23N5O3 — CID 112931208

IUPACN-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2nc(C)cc(Nc3cccc(NC(C)=O)c3)n2)c(OC)c1
InChIInChI=1S/C21H23N5O3/c1-13-10-20(24-16-7-5-6-15(11-16)23-14(2)27)26-21(22-13)25-18-9-8-17(28-3)12-19(18)29-4/h5-12H,1-4H3,(H,23,27)(H2,22,24,25,26)
InChIKeyWIJPPFURTKZXCF-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.25
Rot. Bonds7

About N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112931208) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112931208
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2nc(C)cc(Nc3cccc(NC(C)=O)c3)n2)c(OC)c1
InChIInChI=1S/C21H23N5O3/c1-13-10-20(24-16-7-5-6-15(11-16)23-14(2)27)26-21(22-13)25-18-9-8-17(28-3)12-19(18)29-4/h5-12H,1-4H3,(H,23,27)(H2,22,24,25,26)
InChIKeyWIJPPFURTKZXCF-UHFFFAOYSA-N
XLogP4.25
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931253
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
2-N-(2,4-dimethoxyphenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928481
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928681
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930871
N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878632
N-[3-[[4-(3-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929714
N-[3-[[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112929995
2-N-(4-chloro-2-methylphenyl)-4-N-(2,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930055
1-[4-[[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112930619
N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112929109

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide (CID 112931208) is N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide is COc1ccc(Nc2nc(C)cc(Nc3cccc(NC(C)=O)c3)n2)c(OC)c1.
What is the InChIKey of N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is WIJPPFURTKZXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-10-20(24-16-7-5-6-15(11-16)23-14(2)27)26-21(22-13)25-18-9-8-17(28-3)12-19(18)29-4/h5-12H,1-4H3,(H,23,27)(H2,22,24,25,26).
What are the key properties of N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112931208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).