5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine

C8H12BrN5O — CID 154085139

IUPAC5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCC2)c(Br)c(N)n1O
InChIInChI=1S/C8H12BrN5O/c9-5-6(10)14(15)8(11)12-7(5)13-3-1-2-4-13/h11,15H,1-4,10H2/b11-8+
InChIKeyXUTDAAPPNIQPSJ-DHZHZOJOSA-N
MW274.12 g/mol
LogP0.54
Rot. Bonds1

About 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine

5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 154085139) has the molecular formula C8H12BrN5O and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID154085139
Molecular FormulaC8H12BrN5O
Molecular Weight274.12 g/mol
Exact Mass273.02
IUPAC Name5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCC2)c(Br)c(N)n1O
InChIInChI=1S/C8H12BrN5O/c9-5-6(10)14(15)8(11)12-7(5)13-3-1-2-4-13/h11,15H,1-4,10H2/b11-8+
InChIKeyXUTDAAPPNIQPSJ-DHZHZOJOSA-N
XLogP0.54
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 154085139) is 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine is [H]/N=c1\nc(N2CCCC2)c(Br)c(N)n1O.
What is the InChIKey of 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is XUTDAAPPNIQPSJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H12BrN5O/c9-5-6(10)14(15)8(11)12-7(5)13-3-1-2-4-13/h11,15H,1-4,10H2/b11-8+.
What are the key properties of 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine?
5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 274.12 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 154085139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).