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

C22H25N5O — CID 112929109

IUPACN-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(C)nc(Nc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C22H25N5O/c1-13-9-14(2)21(15(3)10-13)27-22-23-16(4)11-20(26-22)25-19-8-6-7-18(12-19)24-17(5)28/h6-12H,1-5H3,(H,24,28)(H2,23,25,26,27)
InChIKeyXLBCKTPAAWQQSD-UHFFFAOYSA-N
MW375.48 g/mol
LogP5.16
Rot. Bonds5

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

N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112929109) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112929109
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(C)nc(Nc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C22H25N5O/c1-13-9-14(2)21(15(3)10-13)27-22-23-16(4)11-20(26-22)25-19-8-6-7-18(12-19)24-17(5)28/h6-12H,1-5H3,(H,24,28)(H2,23,25,26,27)
InChIKeyXLBCKTPAAWQQSD-UHFFFAOYSA-N
XLogP5.16
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[3-[[4-(3-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929714
N-[3-[[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929812
N-[3-[[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112929995
N-[3-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112909921
N-[3-[[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931253
N-[3-[[2-(benzylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112915733
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
1-[3-[[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112928333
N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112877486
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112929109) is N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(C)nc(Nc3c(C)cc(C)cc3C)n2)c1.
What is the InChIKey of N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is XLBCKTPAAWQQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-13-9-14(2)21(15(3)10-13)27-22-23-16(4)11-20(26-22)25-19-8-6-7-18(12-19)24-17(5)28/h6-12H,1-5H3,(H,24,28)(H2,23,25,26,27).
What are the key properties of N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112929109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).