5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine

C25H28F2N6O2 — CID 139390024

IUPAC5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC(C)CN1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCOCC5)cn4)ncc3F)cc21
InChIInChI=1S/C25H28F2N6O2/c1-16(2)15-33-7-10-35-24-19(26)11-17(12-21(24)33)23-20(27)14-29-25(31-23)30-22-4-3-18(13-28-22)32-5-8-34-9-6-32/h3-4,11-14,16H,5-10,15H2,1-2H3,(H,28,29,30,31)
InChIKeyUELAYOOTACICFN-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.25
Rot. Bonds6

About 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine

5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 139390024) has the molecular formula C25H28F2N6O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID139390024
Molecular FormulaC25H28F2N6O2
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Name5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC(C)CN1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCOCC5)cn4)ncc3F)cc21
InChIInChI=1S/C25H28F2N6O2/c1-16(2)15-33-7-10-35-24-19(26)11-17(12-21(24)33)23-20(27)14-29-25(31-23)30-22-4-3-18(13-28-22)32-5-8-34-9-6-32/h3-4,11-14,16H,5-10,15H2,1-2H3,(H,28,29,30,31)
InChIKeyUELAYOOTACICFN-UHFFFAOYSA-N
XLogP4.25
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine (CID 139390024) is 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine is CC(C)CN1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCOCC5)cn4)ncc3F)cc21.
What is the InChIKey of 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is UELAYOOTACICFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O2/c1-16(2)15-33-7-10-35-24-19(26)11-17(12-21(24)33)23-20(27)14-29-25(31-23)30-22-4-3-18(13-28-22)32-5-8-34-9-6-32/h3-4,11-14,16H,5-10,15H2,1-2H3,(H,28,29,30,31).
What are the key properties of 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 482.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 139390024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).