5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

C19H19Br2N13O — CID 158700363

About 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 158700363) has the molecular formula C19H19Br2N13O and a molecular weight of 605.26 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
• PubChem CID: 158700363
• Molecular Formula: C19H19Br2N13O
• Molecular Weight: 605.26 g/mol
• Exact Mass: 603.02
• IUPAC Name: 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
• SMILES: CC(C)Oc1nc(-n2cccn2)nc(N)c1Br.Nc1nc(-n2cccn2)nc(-n2cncn2)c1Br
• InChI: InChI=1S/C10H12BrN5O.C9H7BrN8/c1-6(2)17-9-7(11)8(12)14-10(15-9)16-5-3-4-13-16;10-6-7(11)15-9(17-3-1-2-13-17)16-8(6)18-5-12-4-14-18/h3-6H,1-2H3,(H2,12,14,15);1-5H,(H2,11,15,16)
• InChIKey: IHLUUKNOXWCMFW-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 179.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.26
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?

The IUPAC name of 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 158700363) is 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

What is the SMILES notation for 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?

The canonical SMILES for 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is CC(C)Oc1nc(-n2cccn2)nc(N)c1Br.Nc1nc(-n2cccn2)nc(-n2cncn2)c1Br.

What is the InChIKey of 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?

The InChIKey is IHLUUKNOXWCMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O.C9H7BrN8/c1-6(2)17-9-7(11)8(12)14-10(15-9)16-5-3-4-13-16;10-6-7(11)15-9(17-3-1-2-13-17)16-8(6)18-5-12-4-14-18/h3-6H,1-2H3,(H2,12,14,15);1-5H,(H2,11,15,16).

What are the key properties of 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?

5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 605.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 158700363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).