6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine

C26H29F2N5O2 — CID 157133144

About 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine

6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine (PubChem CID 157133144) has the molecular formula C26H29F2N5O2 and a molecular weight of 481.55 g/mol. Its IUPAC name is 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine
• PubChem CID: 157133144
• Molecular Formula: C26H29F2N5O2
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.23
• IUPAC Name: 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine
• SMILES: CC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc(N(C)C5CCOC5)cn4)ncc3F)cc21
• InChI: InChI=1S/C26H29F2N5O2/c1-16(2)33-7-9-35-26-21(27)10-17(11-23(26)33)25-22(28)14-30-24(31-25)12-18-4-5-19(13-29-18)32(3)20-6-8-34-15-20/h4-5,10-11,13-14,16,20H,6-9,12,15H2,1-3H3
• InChIKey: AJHPCTRCFGJKBA-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 63.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine?

The IUPAC name of 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine (CID 157133144) is 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine.

What is the SMILES notation for 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine?

The canonical SMILES for 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine is CC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc(N(C)C5CCOC5)cn4)ncc3F)cc21.

What is the InChIKey of 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine?

The InChIKey is AJHPCTRCFGJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O2/c1-16(2)33-7-9-35-26-21(27)10-17(11-23(26)33)25-22(28)14-30-24(31-25)12-18-4-5-19(13-29-18)32(3)20-6-8-34-15-20/h4-5,10-11,13-14,16,20H,6-9,12,15H2,1-3H3.

What are the key properties of 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine?

6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine has a molecular weight of 481.55 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 157133144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).