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

C10H12BrN5 — CID 53466957

IUPAC5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-n2cccn2)nc(N)c1Br
InChIInChI=1S/C10H12BrN5/c1-6(2)8-7(11)9(12)15-10(14-8)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyYINNWVISHXLWEN-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.13
Rot. Bonds2

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

5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 53466957) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine
PubChem CID53466957
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-n2cccn2)nc(N)c1Br
InChIInChI=1S/C10H12BrN5/c1-6(2)8-7(11)9(12)15-10(14-8)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyYINNWVISHXLWEN-UHFFFAOYSA-N
XLogP2.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine (CID 53466957) is 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine is CC(C)c1nc(-n2cccn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is YINNWVISHXLWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-6(2)8-7(11)9(12)15-10(14-8)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15).
What are the key properties of 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine?
5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 282.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53466957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).