2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide

C11H16N4O — CID 81179251

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide
SMILESNCC1(CC(=O)Nc2ncccn2)CCC1
InChIInChI=1S/C11H16N4O/c12-8-11(3-1-4-11)7-9(16)15-10-13-5-2-6-14-10/h2,5-6H,1,3-4,7-8,12H2,(H,13,14,15,16)
InChIKeyGJRINFQWBOZJDW-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.93
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide

2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide (PubChem CID 81179251) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide
PubChem CID81179251
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide
SMILESNCC1(CC(=O)Nc2ncccn2)CCC1
InChIInChI=1S/C11H16N4O/c12-8-11(3-1-4-11)7-9(16)15-10-13-5-2-6-14-10/h2,5-6H,1,3-4,7-8,12H2,(H,13,14,15,16)
InChIKeyGJRINFQWBOZJDW-UHFFFAOYSA-N
XLogP0.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 81167252
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
CID 81172078
2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide
CID 81179768
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618585
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
2-[1-(aminomethyl)cyclobutyl]-N-[6-(diethylamino)-3-pyridinyl]acetamide
CID 81171833
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 81179866
2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 81171959
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide (CID 81179251) is 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide is NCC1(CC(=O)Nc2ncccn2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide?
The InChIKey is GJRINFQWBOZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-8-11(3-1-4-11)7-9(16)15-10-13-5-2-6-14-10/h2,5-6H,1,3-4,7-8,12H2,(H,13,14,15,16).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide?
2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide has a molecular weight of 220.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 81179251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).