5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine

C16H13BrN4 — CID 66303348

IUPAC5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine
SMILESNc1nc(-c2ccc3ccccc3n2)nc(C2CC2)c1Br
InChIInChI=1S/C16H13BrN4/c17-13-14(10-5-6-10)20-16(21-15(13)18)12-8-7-9-3-1-2-4-11(9)19-12/h1-4,7-8,10H,5-6H2,(H2,18,20,21)
InChIKeyJKZNTGFNHKUEQU-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.91
Rot. Bonds2

About 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine (PubChem CID 66303348) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine
PubChem CID66303348
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine
SMILESNc1nc(-c2ccc3ccccc3n2)nc(C2CC2)c1Br
InChIInChI=1S/C16H13BrN4/c17-13-14(10-5-6-10)20-16(21-15(13)18)12-8-7-9-3-1-2-4-11(9)19-12/h1-4,7-8,10H,5-6H2,(H2,18,20,21)
InChIKeyJKZNTGFNHKUEQU-UHFFFAOYSA-N
XLogP3.91
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine (CID 66303348) is 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine is Nc1nc(-c2ccc3ccccc3n2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine?
The InChIKey is JKZNTGFNHKUEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4/c17-13-14(10-5-6-10)20-16(21-15(13)18)12-8-7-9-3-1-2-4-11(9)19-12/h1-4,7-8,10H,5-6H2,(H2,18,20,21).
What are the key properties of 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine has a molecular weight of 341.21 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66303348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).