1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid

C11H11Cl2N5O2 — CID 129116759

IUPAC1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid
SMILESCC(N)Cn1cc(-c2nc(Cl)ncc2Cl)nc1C(=O)O
InChIInChI=1S/C11H11Cl2N5O2/c1-5(14)3-18-4-7(16-9(18)10(19)20)8-6(12)2-15-11(13)17-8/h2,4-5H,3,14H2,1H3,(H,19,20)
InChIKeyIORKHKYKNCOWBQ-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid

1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid (PubChem CID 129116759) has the molecular formula C11H11Cl2N5O2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid
PubChem CID129116759
Molecular FormulaC11H11Cl2N5O2
Molecular Weight316.15 g/mol
Exact Mass315.03
IUPAC Name1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid
SMILESCC(N)Cn1cc(-c2nc(Cl)ncc2Cl)nc1C(=O)O
InChIInChI=1S/C11H11Cl2N5O2/c1-5(14)3-18-4-7(16-9(18)10(19)20)8-6(12)2-15-11(13)17-8/h2,4-5H,3,14H2,1H3,(H,19,20)
InChIKeyIORKHKYKNCOWBQ-UHFFFAOYSA-N
XLogP1.69
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic 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 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid (CID 129116759) is 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid is CC(N)Cn1cc(-c2nc(Cl)ncc2Cl)nc1C(=O)O.
What is the InChIKey of 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid?
The InChIKey is IORKHKYKNCOWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O2/c1-5(14)3-18-4-7(16-9(18)10(19)20)8-6(12)2-15-11(13)17-8/h2,4-5H,3,14H2,1H3,(H,19,20).
What are the key properties of 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid?
1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid has a molecular weight of 316.15 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-4-(2,5-dichloropyrimidin-4-yl)imidazole-2-carboxylic acid is sourced from PubChem (CID 129116759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).