2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine

C11H14BrN5 — CID 80654502

IUPAC2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(Cn2nc(C)c(Br)c2C)n1
InChIInChI=1S/C11H14BrN5/c1-6-4-9(13)15-10(14-6)5-17-8(3)11(12)7(2)16-17/h4H,5H2,1-3H3,(H2,13,14,15)
InChIKeyVFVVYOYISSAKIN-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.99
Rot. Bonds2

About 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine

2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80654502) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
PubChem CID80654502
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(Cn2nc(C)c(Br)c2C)n1
InChIInChI=1S/C11H14BrN5/c1-6-4-9(13)15-10(14-6)5-17-8(3)11(12)7(2)16-17/h4H,5H2,1-3H3,(H2,13,14,15)
InChIKeyVFVVYOYISSAKIN-UHFFFAOYSA-N
XLogP1.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine (CID 80654502) is 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(Cn2nc(C)c(Br)c2C)n1.
What is the InChIKey of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is VFVVYOYISSAKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-6-4-9(13)15-10(14-6)5-17-8(3)11(12)7(2)16-17/h4H,5H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 296.17 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).