5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine

C11H13BrN6O — CID 53467180

IUPAC5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(N2CCOCC2)c1Br
InChIInChI=1S/C11H13BrN6O/c12-8-9(13)15-11(18-3-1-2-14-18)16-10(8)17-4-6-19-7-5-17/h1-3H,4-7H2,(H2,13,15,16)
InChIKeyBVPUXMZPFGIQDD-UHFFFAOYSA-N
MW325.17 g/mol
LogP0.84
Rot. Bonds2

About 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine

5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 53467180) has the molecular formula C11H13BrN6O and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine
PubChem CID53467180
Molecular FormulaC11H13BrN6O
Molecular Weight325.17 g/mol
Exact Mass324.03
IUPAC Name5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(N2CCOCC2)c1Br
InChIInChI=1S/C11H13BrN6O/c12-8-9(13)15-11(18-3-1-2-14-18)16-10(8)17-4-6-19-7-5-17/h1-3H,4-7H2,(H2,13,15,16)
InChIKeyBVPUXMZPFGIQDD-UHFFFAOYSA-N
XLogP0.84
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine (CID 53467180) is 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine is Nc1nc(-n2cccn2)nc(N2CCOCC2)c1Br.
What is the InChIKey of 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is BVPUXMZPFGIQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O/c12-8-9(13)15-11(18-3-1-2-14-18)16-10(8)17-4-6-19-7-5-17/h1-3H,4-7H2,(H2,13,15,16).
What are the key properties of 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine?
5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 325.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53467180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).