2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide

C8H11BrN4O — CID 63873061

IUPAC2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ncc(Br)cn1
InChIInChI=1S/C8H11BrN4O/c1-10-7(14)5-13(2)8-11-3-6(9)4-12-8/h3-4H,5H2,1-2H3,(H,10,14)
InChIKeyBJKYJVIZYKPNCB-UHFFFAOYSA-N
MW259.11 g/mol
LogP0.42
Rot. Bonds3

About 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide

2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide (PubChem CID 63873061) has the molecular formula C8H11BrN4O and a molecular weight of 259.11 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
PubChem CID63873061
Molecular FormulaC8H11BrN4O
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ncc(Br)cn1
InChIInChI=1S/C8H11BrN4O/c1-10-7(14)5-13(2)8-11-3-6(9)4-12-8/h3-4H,5H2,1-2H3,(H,10,14)
InChIKeyBJKYJVIZYKPNCB-UHFFFAOYSA-N
XLogP0.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 63872493
methyl (2R)-3-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropanoate
CID 97019810
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 43621315
3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
CID 106916351
2-[(5-formyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 80637307
2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
CID 115486849
5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770
N-methyl-2-[methyl-[5-(methylamino)-3-pyridinyl]amino]acetamide
CID 104532888
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 103580195

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide (CID 63873061) is 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1ncc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide?
The InChIKey is BJKYJVIZYKPNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O/c1-10-7(14)5-13(2)8-11-3-6(9)4-12-8/h3-4H,5H2,1-2H3,(H,10,14).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide?
2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide has a molecular weight of 259.11 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 63873061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).