5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

C17H20BrN7O2 — CID 68875937

About 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 68875937) has the molecular formula C17H20BrN7O2 and a molecular weight of 434.30 g/mol. Its IUPAC name is 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
• PubChem CID: 68875937
• Molecular Formula: C17H20BrN7O2
• Molecular Weight: 434.30 g/mol
• Exact Mass: 433.09
• IUPAC Name: 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
• SMILES: CC(C)Oc1cc(Nc2nc(NCc3cc(C4CC4)no3)ncc2Br)[nH]n1
• InChI: InChI=1S/C17H20BrN7O2/c1-9(2)26-15-6-14(23-24-15)21-16-12(18)8-20-17(22-16)19-7-11-5-13(25-27-11)10-3-4-10/h5-6,8-10H,3-4,7H2,1-2H3,(H3,19,20,21,22,23,24)
• InChIKey: HPVAYAWWYRXGSW-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 113.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.30
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine?

The IUPAC name of 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine (CID 68875937) is 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine is CC(C)Oc1cc(Nc2nc(NCc3cc(C4CC4)no3)ncc2Br)[nH]n1.

What is the InChIKey of 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine?

The InChIKey is HPVAYAWWYRXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN7O2/c1-9(2)26-15-6-14(23-24-15)21-16-12(18)8-20-17(22-16)19-7-11-5-13(25-27-11)10-3-4-10/h5-6,8-10H,3-4,7H2,1-2H3,(H3,19,20,21,22,23,24).

What are the key properties of 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine?

5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 434.30 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68875937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).