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

C21H23N5O3 — CID 112878632

IUPACN-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2cc(Nc3ccc(NC(C)=O)cc3)nc(C)n2)c(OC)c1
InChIInChI=1S/C21H23N5O3/c1-13-22-20(25-16-7-5-15(6-8-16)24-14(2)27)12-21(23-13)26-18-10-9-17(28-3)11-19(18)29-4/h5-12H,1-4H3,(H,24,27)(H2,22,23,25,26)
InChIKeyWZTLFJLSXVIKAX-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.25
Rot. Bonds7

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

N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112878632) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112878632
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2cc(Nc3ccc(NC(C)=O)cc3)nc(C)n2)c(OC)c1
InChIInChI=1S/C21H23N5O3/c1-13-22-20(25-16-7-5-15(6-8-16)24-14(2)27)12-21(23-13)26-18-10-9-17(28-3)11-19(18)29-4/h5-12H,1-4H3,(H,24,27)(H2,22,23,25,26)
InChIKeyWZTLFJLSXVIKAX-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

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

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
N-[3-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878289
N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931208
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878650
1-(2,4-dimethoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50753225
methyl 2-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878803
N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 20899006
6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849211
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (CID 112878632) is N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is COc1ccc(Nc2cc(Nc3ccc(NC(C)=O)cc3)nc(C)n2)c(OC)c1.
What is the InChIKey of N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is WZTLFJLSXVIKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-22-20(25-16-7-5-15(6-8-16)24-14(2)27)12-21(23-13)26-18-10-9-17(28-3)11-19(18)29-4/h5-12H,1-4H3,(H,24,27)(H2,22,23,25,26).
What are the key properties of N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-(2,4-dimethoxyanilino)-2-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-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112878632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).