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

C18H21N7O — CID 117079551

IUPACN-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(-c3c(C)nn(C)c3C)nc(N)n2)cc1
InChIInChI=1S/C18H21N7O/c1-10-17(11(2)25(4)24-10)15-9-16(23-18(19)22-15)21-14-7-5-13(6-8-14)20-12(3)26/h5-9H,1-4H3,(H,20,26)(H3,19,21,22,23)
InChIKeyNPLXEDVJENJCQO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.78
Rot. Bonds4

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

N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 117079551) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID117079551
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(-c3c(C)nn(C)c3C)nc(N)n2)cc1
InChIInChI=1S/C18H21N7O/c1-10-17(11(2)25(4)24-10)15-9-16(23-18(19)22-15)21-14-7-5-13(6-8-14)20-12(3)26/h5-9H,1-4H3,(H,20,26)(H3,19,21,22,23)
InChIKeyNPLXEDVJENJCQO-UHFFFAOYSA-N
XLogP2.78
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117083116
N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879442
N-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879764
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 74767671
N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
CID 156868242
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78886380
N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide
CID 170504249
N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
CID 10613916
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 117079551) is N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(-c3c(C)nn(C)c3C)nc(N)n2)cc1.
What is the InChIKey of N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is NPLXEDVJENJCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-10-17(11(2)25(4)24-10)15-9-16(23-18(19)22-15)21-14-7-5-13(6-8-14)20-12(3)26/h5-9H,1-4H3,(H,20,26)(H3,19,21,22,23).
What are the key properties of N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117079551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).