4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine

C11H14BrN5 — CID 61177372

IUPAC4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine
SMILESCc1cc(-n2cc(Br)c(N)n2)nc(C(C)C)n1
InChIInChI=1S/C11H14BrN5/c1-6(2)11-14-7(3)4-9(15-11)17-5-8(12)10(13)16-17/h4-6H,1-3H3,(H2,13,16)
InChIKeyWUODLCNDRMVNIR-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.44
Rot. Bonds2

About 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine

4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine (PubChem CID 61177372) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine
PubChem CID61177372
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine
SMILESCc1cc(-n2cc(Br)c(N)n2)nc(C(C)C)n1
InChIInChI=1S/C11H14BrN5/c1-6(2)11-14-7(3)4-9(15-11)17-5-8(12)10(13)16-17/h4-6H,1-3H3,(H2,13,16)
InChIKeyWUODLCNDRMVNIR-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine (CID 61177372) is 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine is Cc1cc(-n2cc(Br)c(N)n2)nc(C(C)C)n1.
What is the InChIKey of 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine?
The InChIKey is WUODLCNDRMVNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-6(2)11-14-7(3)4-9(15-11)17-5-8(12)10(13)16-17/h4-6H,1-3H3,(H2,13,16).
What are the key properties of 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine?
4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine has a molecular weight of 296.17 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine is sourced from PubChem (CID 61177372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).