N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide

C19H22N6O — CID 117083116

IUPACN-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C)nc(-c3c(C)nn(C)c3C)n2)cc1
InChIInChI=1S/C19H22N6O/c1-11-10-17(22-16-8-6-15(7-9-16)21-14(4)26)23-19(20-11)18-12(2)24-25(5)13(18)3/h6-10H,1-5H3,(H,21,26)(H,20,22,23)
InChIKeyMLFHPWDOBHMTKJ-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.50
Rot. Bonds4

About N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 117083116) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID117083116
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C)nc(-c3c(C)nn(C)c3C)n2)cc1
InChIInChI=1S/C19H22N6O/c1-11-10-17(22-16-8-6-15(7-9-16)21-14(4)26)23-19(20-11)18-12(2)24-25(5)13(18)3/h6-10H,1-5H3,(H,21,26)(H,20,22,23)
InChIKeyMLFHPWDOBHMTKJ-UHFFFAOYSA-N
XLogP3.50
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117079551
2-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
CID 117093959
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
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
N-[4-[[2-(4-formylpiperazin-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112914764
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876771
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117087947

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 117083116) is N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(C)nc(-c3c(C)nn(C)c3C)n2)cc1.
What is the InChIKey of N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is MLFHPWDOBHMTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-11-10-17(22-16-8-6-15(7-9-16)21-14(4)26)23-19(20-11)18-12(2)24-25(5)13(18)3/h6-10H,1-5H3,(H,21,26)(H,20,22,23).
What are the key properties of N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117083116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).