2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide

C18H20N6O — CID 56699439

IUPAC2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCCNc2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C18H20N6O/c1-13-4-5-14(2)15(10-13)18(25)20-8-7-19-16-11-17(22-12-21-16)24-9-3-6-23-24/h3-6,9-12H,7-8H2,1-2H3,(H,20,25)(H,19,21,22)
InChIKeyOFRVEXUPKPUGOM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.12
Rot. Bonds6

About 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide

2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 56699439) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID56699439
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCCNc2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C18H20N6O/c1-13-4-5-14(2)15(10-13)18(25)20-8-7-19-16-11-17(22-12-21-16)24-9-3-6-23-24/h3-6,9-12H,7-8H2,1-2H3,(H,20,25)(H,19,21,22)
InChIKeyOFRVEXUPKPUGOM-UHFFFAOYSA-N
XLogP2.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,5-dimethylbenzamide
CID 122328563
2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699359
1-(3-fluoro-2-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 56699143
N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-3-(trifluoromethyl)benzamide
CID 50947025
4-methyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308022
3,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308024
1-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 30868250
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(3-methylphenyl)acetamide
CID 122290839
2,5-dichloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-3-carboxamide
CID 122289978
5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 122289913
1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122328299

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide (CID 56699439) is 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide is Cc1ccc(C)c(C(=O)NCCNc2cc(-n3cccn3)ncn2)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is OFRVEXUPKPUGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-4-5-14(2)15(10-13)18(25)20-8-7-19-16-11-17(22-12-21-16)24-9-3-6-23-24/h3-6,9-12H,7-8H2,1-2H3,(H,20,25)(H,19,21,22).
What are the key properties of 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 56699439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).