2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C15H18N4O — CID 81317594

IUPAC2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cc2ccccc2CN)n1
InChIInChI=1S/C15H18N4O/c1-10-7-11(2)18-15(17-10)19-14(20)8-12-5-3-4-6-13(12)9-16/h3-7H,8-9,16H2,1-2H3,(H,17,18,19,20)
InChIKeyWTOMJKROFNEJPX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.73
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 81317594) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID81317594
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cc2ccccc2CN)n1
InChIInChI=1S/C15H18N4O/c1-10-7-11(2)18-15(17-10)19-14(20)8-12-5-3-4-6-13(12)9-16/h3-7H,8-9,16H2,1-2H3,(H,17,18,19,20)
InChIKeyWTOMJKROFNEJPX-UHFFFAOYSA-N
XLogP1.73
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 146022543
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
2-[2-(aminomethyl)phenyl]-N-(3-hydroxy-4-methylphenyl)acetamide
CID 107701531
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
CID 107599693
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618675
N-(3-acetylphenyl)-2-[2-(aminomethyl)phenyl]acetamide
CID 81313310
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide
CID 108807515
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
2-[2-(aminomethyl)phenyl]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 81311348

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 81317594) is 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)Cc2ccccc2CN)n1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is WTOMJKROFNEJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-7-11(2)18-15(17-10)19-14(20)8-12-5-3-4-6-13(12)9-16/h3-7H,8-9,16H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 81317594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).