5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine

C13H16BrN5 — CID 114264170

IUPAC5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
SMILESCC(C)(Nc1nc(NN)ncc1Br)c1ccccc1
InChIInChI=1S/C13H16BrN5/c1-13(2,9-6-4-3-5-7-9)18-11-10(14)8-16-12(17-11)19-15/h3-8H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyIUPVDXQUOWYVOR-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine (PubChem CID 114264170) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
PubChem CID114264170
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
SMILESCC(C)(Nc1nc(NN)ncc1Br)c1ccccc1
InChIInChI=1S/C13H16BrN5/c1-13(2,9-6-4-3-5-7-9)18-11-10(14)8-16-12(17-11)19-15/h3-8H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyIUPVDXQUOWYVOR-UHFFFAOYSA-N
XLogP2.87
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine (CID 114264170) is 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine is CC(C)(Nc1nc(NN)ncc1Br)c1ccccc1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is IUPVDXQUOWYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-13(2,9-6-4-3-5-7-9)18-11-10(14)8-16-12(17-11)19-15/h3-8H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114264170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).