2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide

C29H34F2N8O2 — CID 146327241

About 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide

2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide (PubChem CID 146327241) has the molecular formula C29H34F2N8O2 and a molecular weight of 564.64 g/mol. Its IUPAC name is 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide
• PubChem CID: 146327241
• Molecular Formula: C29H34F2N8O2
• Molecular Weight: 564.64 g/mol
• Exact Mass: 564.28
• IUPAC Name: 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide
• SMILES: CNC(=O)C[C@]1(C)CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CCO1
• InChI: InChI=1S/C29H34F2N8O2/c1-17(2)39-18(3)35-27-21(30)10-20(11-23(27)39)26-22(31)14-34-28(37-26)36-24-7-6-19(13-33-24)15-38-8-9-41-29(4,16-38)12-25(40)32-5/h6-7,10-11,13-14,17H,8-9,12,15-16H2,1-5H3,(H,32,40)(H,33,34,36,37)/t29-/m1/s1
• InChIKey: CBMGWDMDATYXPQ-GDLZYMKVSA-N
• XLogP: 4.53
• TPSA: 110.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide?

The IUPAC name of 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide (CID 146327241) is 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide.

What is the SMILES notation for 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide?

The canonical SMILES for 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide is CNC(=O)C[C@]1(C)CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CCO1.

What is the InChIKey of 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide?

The InChIKey is CBMGWDMDATYXPQ-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H34F2N8O2/c1-17(2)39-18(3)35-27-21(30)10-20(11-23(27)39)26-22(31)14-34-28(37-26)36-24-7-6-19(13-33-24)15-38-8-9-41-29(4,16-38)12-25(40)32-5/h6-7,10-11,13-14,17H,8-9,12,15-16H2,1-5H3,(H,32,40)(H,33,34,36,37)/t29-/m1/s1.

What are the key properties of 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide?

2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide has a molecular weight of 564.64 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]-N-methylacetamide is sourced from PubChem (CID 146327241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).