2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide

C9H13BrN4O — CID 130639933

IUPAC2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide
SMILESCc1nc(C)c(Br)c(NC(C)C(N)=O)n1
InChIInChI=1S/C9H13BrN4O/c1-4-7(10)9(14-6(3)12-4)13-5(2)8(11)15/h5H,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyJUYCQKLFQLHLSA-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.14
Rot. Bonds3

About 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide

2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide (PubChem CID 130639933) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide
PubChem CID130639933
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide
SMILESCc1nc(C)c(Br)c(NC(C)C(N)=O)n1
InChIInChI=1S/C9H13BrN4O/c1-4-7(10)9(14-6(3)12-4)13-5(2)8(11)15/h5H,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyJUYCQKLFQLHLSA-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide (CID 130639933) is 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide is Cc1nc(C)c(Br)c(NC(C)C(N)=O)n1.
What is the InChIKey of 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide?
The InChIKey is JUYCQKLFQLHLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-4-7(10)9(14-6(3)12-4)13-5(2)8(11)15/h5H,1-3H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide?
2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide has a molecular weight of 273.13 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 130639933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).