5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C33H39F2N11O2 — CID 159560710

About 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 159560710) has the molecular formula C33H39F2N11O2 and a molecular weight of 659.75 g/mol. Its IUPAC name is 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 159560710
• Molecular Formula: C33H39F2N11O2
• Molecular Weight: 659.75 g/mol
• Exact Mass: 659.33
• IUPAC Name: 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
• SMILES: Cc1ncc(-c2nc(N)ncc2F)n1C(C)C.Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc2F)n1C(C)C
• InChI: InChI=1S/C22H25FN6O2.C11H14FN5/c1-14(2)29-15(3)24-13-19(29)20-18(23)12-25-22(27-20)26-17-6-4-16(5-7-17)21(30)28-8-10-31-11-9-28;1-6(2)17-7(3)14-5-9(17)10-8(12)4-15-11(13)16-10/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,27);4-6H,1-3H3,(H2,13,15,16)
• InChIKey: MGORFMNFARENOM-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 154.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	659.75
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 159560710) is 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is Cc1ncc(-c2nc(N)ncc2F)n1C(C)C.Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc2F)n1C(C)C.

What is the InChIKey of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?

The InChIKey is MGORFMNFARENOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2.C11H14FN5/c1-14(2)29-15(3)24-13-19(29)20-18(23)12-25-22(27-20)26-17-6-4-16(5-7-17)21(30)28-8-10-31-11-9-28;1-6(2)17-7(3)14-5-9(17)10-8(12)4-15-11(13)16-10/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,27);4-6H,1-3H3,(H2,13,15,16).

What are the key properties of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?

5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 659.75 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 159560710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).