5-bromo-N-dimethylphosphorylpyrimidin-2-amine

C6H9BrN3OP — CID 171643829

IUPAC5-bromo-N-dimethylphosphorylpyrimidin-2-amine
SMILESCP(C)(=O)Nc1ncc(Br)cn1
InChIInChI=1S/C6H9BrN3OP/c1-12(2,11)10-6-8-3-5(7)4-9-6/h3-4H,1-2H3,(H,8,9,10,11)
InChIKeyUDIKIRVUFTXOET-UHFFFAOYSA-N
MW250.04 g/mol
LogP2.19
Rot. Bonds2

About 5-bromo-N-dimethylphosphorylpyrimidin-2-amine

5-bromo-N-dimethylphosphorylpyrimidin-2-amine (PubChem CID 171643829) has the molecular formula C6H9BrN3OP and a molecular weight of 250.04 g/mol. Its IUPAC name is 5-bromo-N-dimethylphosphorylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-dimethylphosphorylpyrimidin-2-amine
PubChem CID171643829
Molecular FormulaC6H9BrN3OP
Molecular Weight250.04 g/mol
Exact Mass248.97
IUPAC Name5-bromo-N-dimethylphosphorylpyrimidin-2-amine
SMILESCP(C)(=O)Nc1ncc(Br)cn1
InChIInChI=1S/C6H9BrN3OP/c1-12(2,11)10-6-8-3-5(7)4-9-6/h3-4H,1-2H3,(H,8,9,10,11)
InChIKeyUDIKIRVUFTXOET-UHFFFAOYSA-N
XLogP2.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-dimethylphosphorylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-dimethylphosphorylpyrimidin-2-amine (CID 171643829) is 5-bromo-N-dimethylphosphorylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-dimethylphosphorylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-dimethylphosphorylpyrimidin-2-amine is CP(C)(=O)Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-dimethylphosphorylpyrimidin-2-amine?
The InChIKey is UDIKIRVUFTXOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN3OP/c1-12(2,11)10-6-8-3-5(7)4-9-6/h3-4H,1-2H3,(H,8,9,10,11).
What are the key properties of 5-bromo-N-dimethylphosphorylpyrimidin-2-amine?
5-bromo-N-dimethylphosphorylpyrimidin-2-amine has a molecular weight of 250.04 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-dimethylphosphorylpyrimidin-2-amine is sourced from PubChem (CID 171643829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).