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

C24H26F2N6O2 — CID 139390009

IUPAC5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCOCC5)cn4)ncc3F)cc21
InChIInChI=1S/C24H26F2N6O2/c1-15(2)32-7-10-34-23-18(25)11-16(12-20(23)32)22-19(26)14-28-24(30-22)29-21-4-3-17(13-27-21)31-5-8-33-9-6-31/h3-4,11-15H,5-10H2,1-2H3,(H,27,28,29,30)
InChIKeyMDSUHMLXNPZZHO-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.00
Rot. Bonds5

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

5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 139390009) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is 5-fluoro-4-(8-fluoro-4-propan-2-yl-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-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID139390009
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCOCC5)cn4)ncc3F)cc21
InChIInChI=1S/C24H26F2N6O2/c1-15(2)32-7-10-34-23-18(25)11-16(12-20(23)32)22-19(26)14-28-24(30-22)29-21-4-3-17(13-27-21)31-5-8-33-9-6-31/h3-4,11-15H,5-10H2,1-2H3,(H,27,28,29,30)
InChIKeyMDSUHMLXNPZZHO-UHFFFAOYSA-N
XLogP4.00
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(8-fluoro-4-propan-2-yl-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-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine (CID 139390009) is 5-fluoro-4-(8-fluoro-4-propan-2-yl-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-propan-2-yl-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-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine is CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCOCC5)cn4)ncc3F)cc21.
What is the InChIKey of 5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is MDSUHMLXNPZZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-15(2)32-7-10-34-23-18(25)11-16(12-20(23)32)22-19(26)14-28-24(30-22)29-21-4-3-17(13-27-21)31-5-8-33-9-6-31/h3-4,11-15H,5-10H2,1-2H3,(H,27,28,29,30).
What are the key properties of 5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 468.51 g/mol, XLogP of 4.00, 5 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-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 139390009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).