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

C9H11BrN6 — CID 53467187

IUPAC5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
SMILESCN(C)c1nc(-n2cccn2)nc(N)c1Br
InChIInChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)
InChIKeyXFEJMGUHELBLFD-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.07
Rot. Bonds2

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

5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine (PubChem CID 53467187) has the molecular formula C9H11BrN6 and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
PubChem CID53467187
Molecular FormulaC9H11BrN6
Molecular Weight283.13 g/mol
Exact Mass282.02
IUPAC Name5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
SMILESCN(C)c1nc(-n2cccn2)nc(N)c1Br
InChIInChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)
InChIKeyXFEJMGUHELBLFD-UHFFFAOYSA-N
XLogP1.07
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine (CID 53467187) is 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine is CN(C)c1nc(-n2cccn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The InChIKey is XFEJMGUHELBLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14).
What are the key properties of 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine has a molecular weight of 283.13 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 53467187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).