5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine

C13H14BrN3 — CID 66340366

IUPAC5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cc1ccccc1)Nc1ncncc1Br
InChIInChI=1S/C13H14BrN3/c1-10(7-11-5-3-2-4-6-11)17-13-12(14)8-15-9-16-13/h2-6,8-10H,7H2,1H3,(H,15,16,17)
InChIKeyOZRKAJAABLRXCO-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.28
Rot. Bonds4

About 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine

5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine (PubChem CID 66340366) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine
PubChem CID66340366
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cc1ccccc1)Nc1ncncc1Br
InChIInChI=1S/C13H14BrN3/c1-10(7-11-5-3-2-4-6-11)17-13-12(14)8-15-9-16-13/h2-6,8-10H,7H2,1H3,(H,15,16,17)
InChIKeyOZRKAJAABLRXCO-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine (CID 66340366) is 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine is CC(Cc1ccccc1)Nc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is OZRKAJAABLRXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-10(7-11-5-3-2-4-6-11)17-13-12(14)8-15-9-16-13/h2-6,8-10H,7H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine?
5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 292.18 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66340366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).