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

C21H23N5O — CID 112877486

IUPACN-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(Nc3c(C)cccc3C)nc(C)n2)c1
InChIInChI=1S/C21H23N5O/c1-13-7-5-8-14(2)21(13)26-20-12-19(22-15(3)23-20)25-18-10-6-9-17(11-18)24-16(4)27/h5-12H,1-4H3,(H,24,27)(H2,22,23,25,26)
InChIKeySSRXBKAOUHQVRV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.85
Rot. Bonds5

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

N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112877486) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112877486
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(Nc3c(C)cccc3C)nc(C)n2)c1
InChIInChI=1S/C21H23N5O/c1-13-7-5-8-14(2)21(13)26-20-12-19(22-15(3)23-20)25-18-10-6-9-17(11-18)24-16(4)27/h5-12H,1-4H3,(H,24,27)(H2,22,23,25,26)
InChIKeySSRXBKAOUHQVRV-UHFFFAOYSA-N
XLogP4.85
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
N-[3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871603
N-[3-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878289
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
methyl 4-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877490
N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112929109
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
6-(3-acetamidoanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368688
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
N-[3-[[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112847815

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (CID 112877486) is N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(Nc3c(C)cccc3C)nc(C)n2)c1.
What is the InChIKey of N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is SSRXBKAOUHQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-7-5-8-14(2)21(13)26-20-12-19(22-15(3)23-20)25-18-10-6-9-17(11-18)24-16(4)27/h5-12H,1-4H3,(H,24,27)(H2,22,23,25,26).
What are the key properties of N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112877486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).