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

C20H21N5O — CID 112877053

IUPACN-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Nc3cccc(C)c3)nc(C)n2)cc1
InChIInChI=1S/C20H21N5O/c1-13-5-4-6-18(11-13)25-20-12-19(21-14(2)22-20)24-17-9-7-16(8-10-17)23-15(3)26/h4-12H,1-3H3,(H,23,26)(H2,21,22,24,25)
InChIKeyQIGXVSGZROPNSF-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.54
Rot. Bonds5

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

N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112877053) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112877053
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Nc3cccc(C)c3)nc(C)n2)cc1
InChIInChI=1S/C20H21N5O/c1-13-5-4-6-18(11-13)25-20-12-19(21-14(2)22-20)24-17-9-7-16(8-10-17)23-15(3)26/h4-12H,1-3H3,(H,23,26)(H2,21,22,24,25)
InChIKeyQIGXVSGZROPNSF-UHFFFAOYSA-N
XLogP4.54
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112871878
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112877486
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
N-(3-methylphenyl)acetamide
CID 10843
N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
CID 156868242
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112877053) is N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(Nc3cccc(C)c3)nc(C)n2)cc1.
What is the InChIKey of N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is QIGXVSGZROPNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-5-4-6-18(11-13)25-20-12-19(21-14(2)22-20)24-17-9-7-16(8-10-17)23-15(3)26/h4-12H,1-3H3,(H,23,26)(H2,21,22,24,25).
What are the key properties of N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112877053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).