5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine

C11H13BrN6 — CID 53467184

IUPAC5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
SMILESNc1nc(-n2cccn2)nc(NC2CCC2)c1Br
InChIInChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17)
InChIKeyVUEAJDKKLYSRME-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.97
Rot. Bonds3

About 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine

5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine (PubChem CID 53467184) has the molecular formula C11H13BrN6 and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
PubChem CID53467184
Molecular FormulaC11H13BrN6
Molecular Weight309.17 g/mol
Exact Mass308.04
IUPAC Name5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
SMILESNc1nc(-n2cccn2)nc(NC2CCC2)c1Br
InChIInChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17)
InChIKeyVUEAJDKKLYSRME-UHFFFAOYSA-N
XLogP1.97
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine (CID 53467184) is 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine is Nc1nc(-n2cccn2)nc(NC2CCC2)c1Br.
What is the InChIKey of 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The InChIKey is VUEAJDKKLYSRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17).
What are the key properties of 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine has a molecular weight of 309.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 53467184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).