5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

C14H19BrN6 — CID 59758040

About 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 59758040) has the molecular formula C14H19BrN6 and a molecular weight of 351.25 g/mol. Its IUPAC name is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
• PubChem CID: 59758040
• Molecular Formula: C14H19BrN6
• Molecular Weight: 351.25 g/mol
• Exact Mass: 350.09
• IUPAC Name: 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
• SMILES: CC(C)CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
• InChI: InChI=1S/C14H19BrN6/c1-8(2)6-16-14-17-7-10(15)13(19-14)18-12-5-11(20-21-12)9-3-4-9/h5,7-9H,3-4,6H2,1-2H3,(H3,16,17,18,19,20,21)
• InChIKey: XHAFAHJJGOGELZ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 78.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.25
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?

The IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 59758040) is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1.

What is the InChIKey of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?

The InChIKey is XHAFAHJJGOGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6/c1-8(2)6-16-14-17-7-10(15)13(19-14)18-12-5-11(20-21-12)9-3-4-9/h5,7-9H,3-4,6H2,1-2H3,(H3,16,17,18,19,20,21).

What are the key properties of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 351.25 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59758040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).