5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine

C10H12BrN5 — CID 4517240

IUPAC5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
SMILESBrc1cnc(NCCCn2ccnc2)nc1
InChIInChI=1S/C10H12BrN5/c11-9-6-14-10(15-7-9)13-2-1-4-16-5-3-12-8-16/h3,5-8H,1-2,4H2,(H,13,14,15)
InChIKeyFKZUONPKNXXYEC-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.94
Rot. Bonds5

About 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine

5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine (PubChem CID 4517240) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
PubChem CID4517240
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
SMILESBrc1cnc(NCCCn2ccnc2)nc1
InChIInChI=1S/C10H12BrN5/c11-9-6-14-10(15-7-9)13-2-1-4-16-5-3-12-8-16/h3,5-8H,1-2,4H2,(H,13,14,15)
InChIKeyFKZUONPKNXXYEC-UHFFFAOYSA-N
XLogP1.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine (CID 4517240) is 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine is Brc1cnc(NCCCn2ccnc2)nc1.
What is the InChIKey of 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is FKZUONPKNXXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-9-6-14-10(15-7-9)13-2-1-4-16-5-3-12-8-16/h3,5-8H,1-2,4H2,(H,13,14,15).
What are the key properties of 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 282.14 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 4517240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).