2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid

C10H13BrN2O2 — CID 104571680

IUPAC2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ncncc1Br
InChIInChI=1S/C10H13BrN2O2/c1-6(2)3-7(10(14)15)9-8(11)4-12-5-13-9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyBFAFBIHADRRHQH-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.45
Rot. Bonds4

About 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid

2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid (PubChem CID 104571680) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid
PubChem CID104571680
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ncncc1Br
InChIInChI=1S/C10H13BrN2O2/c1-6(2)3-7(10(14)15)9-8(11)4-12-5-13-9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyBFAFBIHADRRHQH-UHFFFAOYSA-N
XLogP2.45
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid?
The IUPAC name of 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid (CID 104571680) is 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid?
The canonical SMILES for 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)c1ncncc1Br.
What is the InChIKey of 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid?
The InChIKey is BFAFBIHADRRHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6(2)3-7(10(14)15)9-8(11)4-12-5-13-9/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid?
2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid has a molecular weight of 273.13 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid is sourced from PubChem (CID 104571680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).