6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione

C8H8BrN5O2 — CID 10039599

IUPAC6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
SMILESNc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)
InChIKeyXUBIFQIUVKXXLR-UHFFFAOYSA-N
MW286.09 g/mol
LogP-0.35
Rot. Bonds2

About 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione

6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione (PubChem CID 10039599) has the molecular formula C8H8BrN5O2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
PubChem CID10039599
Molecular FormulaC8H8BrN5O2
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
SMILESNc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)
InChIKeyXUBIFQIUVKXXLR-UHFFFAOYSA-N
XLogP-0.35
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione 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 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione (CID 10039599) is 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione is Nc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
The InChIKey is XUBIFQIUVKXXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16).
What are the key properties of 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione has a molecular weight of 286.09 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoimidazol-1-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10039599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).